SMILES for Proto-oncogene tyrosine-protein kinase ROS

346 SMILES Strings for Proto-oncogene tyrosine-protein kinase ROS

Compound Name

SMILES String

CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(O)ccc2F)c2c(N)ncnc12 |r,wU:11.14,9.9,(5.38,-23.19,;6.89,-22.87,;7.92,-24.01,;7.36,-21.4,;6.33,-20.26,;6.8,-18.8,;8.31,-18.48,;9.35,-19.61,;8.87,-21.08,;8.78,-17.01,;8.08,-15.64,;9.45,-14.94,;10.15,-16.31,;9.91,-13.47,;9,-12.23,;9.9,-10.98,;9.42,-9.52,;10.45,-8.37,;9.97,-6.91,;11,-5.76,;8.46,-6.59,;7.43,-7.75,;7.92,-9.21,;6.9,-10.36,;11.37,-11.45,;12.7,-10.67,;12.7,-9.13,;14.04,-11.43,;14.05,-12.98,;12.71,-13.76,;11.37,-12.99,)|

BDBM267438

CC(=O)N1CCOc2ccc(F)cc2[C@H]2CCCN2c2ccn3ncc(C1)c3n2 |r|

BDBM50021626

CC(C)(C)CNC(=O)CC1CNC(=O)c2cc(cn12)-c1ccsc1

BDBM50300690

CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1

BDBM5931

CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1

BDBM50062366

CC(C)CNc1cc(nc(n1)-c1cccnc1)-c1cn(CC#N)nc1-c1cc(C)cc(O)c1

BDBM50436850

CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1

BDBM50279683

CC(C)Oc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)-c1nc(CN2CCN(C)CC2)cs1

BDBM50279685

CC(C)Oc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)-c1nc(CN2CCN(CCO)CC2)cs1

BDBM50467295

CC(C)Oc1nc(ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1)N1CCN(C)CC1

BDBM50284480

CC(C)S(=O)(=O)c1ccccc1CNC(=O)c1cccc(c1)C(C)Oc1cccnc1Nc1cnn(C)c1

BDBM50204616

CC(C)S(=O)(=O)c1ccccc1Nc1nc(N\N=C(/C)c2ccc(F)cc2)ncc1Cl

BDBM50204615

CC(C)S(=O)(=O)c1ccccc1Nc1nc(N\N=C\c2ccc(F)cc2)ncc1Cl

BDBM50204614

CC(C)S(=O)(=O)c1ccccc1Nc1nc(N\N=C\c2ccc(OC(F)(F)F)cc2)ncc1Cl

BDBM50204619

CC(C)S(=O)(=O)c1ccccc1Nc1nc(N\N=C\c2ccc(cc2)C(F)(F)F)ncc1Cl

BDBM50204618

CC(C)S(=O)(=O)c1ccccc1Nc1nc(N\N=C\c2cccc(c2)C(F)(F)F)ncc1Cl

BDBM144326

CC(C)c1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(c2)C(F)(F)F)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:40.44,wD:37.40,(6.63,1.27,;6.63,-.27,;8.13,-.59,;5.29,-1.04,;3.91,-.3,;2.58,-1.07,;1.81,.27,;2.58,1.6,;.27,.27,;2.58,-2.61,;1.24,-3.38,;-.09,-2.61,;-.09,-1.07,;-1.42,-.3,;-2.76,-1.07,;-4.09,-.3,;-5.42,-1.07,;-6.76,-.3,;-6.76,1.24,;-5.42,2.01,;-4.09,1.24,;-8.09,2.01,;-8.09,3.55,;-9.43,4.32,;-10.81,3.58,;-12.14,4.35,;-10.76,2.01,;-9.43,1.24,;-2.81,-2.63,;-1.42,-3.38,;-4.14,-3.4,;-5.47,-4.17,;-3.37,-4.74,;-4.91,-2.07,;3.91,-3.38,;5.24,-2.61,;6.58,-3.38,;7.91,-2.61,;9.25,-3.38,;10.58,-2.61,;10.58,-1.07,;11.91,-.3,;9.25,-.3,;7.91,-1.07,)|

BDBM144316

CC(C)c1nc(C(N)=O)c(Nc2ccc(cc2)N2CCC(CC2)N2CCN(C)CC2)nc1NC1CCOCC1

BDBM144319

CC(C)c1nc(C(N)=O)c(Nc2ccc(cc2)N2CCN(C)CC2)nc1NC1CCOCC1

BDBM144323

CC(C)c1nc(C(N)=O)c(Nc2ccc(cc2)N2CCN(C)CC2)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:30.33,wD:27.29,(4.49,2.4,;4.49,.86,;5.99,.54,;3.15,.09,;1.77,.84,;.44,.07,;-.33,1.4,;.44,2.73,;-1.87,1.4,;.44,-1.47,;-.9,-2.24,;-2.23,-1.47,;-3.56,-2.24,;-4.9,-1.47,;-4.9,.07,;-3.56,.84,;-2.23,.07,;-6.23,.84,;-7.56,.07,;-8.9,.84,;-8.95,2.4,;-10.28,3.17,;-7.56,3.15,;-6.23,2.38,;1.77,-2.24,;3.11,-1.47,;4.44,-2.24,;5.77,-1.47,;7.11,-2.24,;8.44,-1.47,;8.44,.07,;9.77,.84,;7.11,.84,;5.77,.07,)|

BDBM36409

CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12

BDBM130921

CC(Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2c(C)c3CN(C4CCN(C)CC4)C(=O)c3cc2[nH]1

BDBM130919

CC(Cc1cc(F)ccc1F)Nc1cc[nH]c(=O)c1-c1nc2cc3CN(CCN(C)C)C(=O)c3cc2[nH]1

BDBM50284503

CC(Oc1cccnc1Nc1cnn(C)c1)c1cccc(c1)C(=O)NCc1ccc(Cl)c(c1)C(F)(F)F

BDBM50284504

CC(Oc1cccnc1Nc1cnn(C)c1)c1cccc(c1)C(=O)NCc1ccc(F)c(Cl)c1

BDBM50284476

CC(Oc1cccnc1Nc1cnn(C)c1)c1cccc(c1)C(=O)NCc1ccc(F)cc1

BDBM50284505

CC(Oc1cccnc1Nc1cnn(C)c1)c1cccc(c1)C(=O)NCc1ccc(OC(F)(F)F)cc1

BDBM50284438

CC(Oc1cccnc1Nc1cnn(CC#N)c1)c1cccc(c1)C(=O)NCc1ccc(C)cc1

BDBM50284435

CC(Oc1cccnc1Nc1cnn(CC(C)(C)O)c1)c1cccc(c1)C(=O)NCc1ccc(C)cc1

BDBM50284479

CC(Oc1cccnc1Nc1ncc(C)s1)c1cccc(c1)C(=O)NCc1ccc(C)cc1

BDBM50284497

CC(Oc1cccnc1Nc1ncc(C)s1)c1cccc(c1)C(=O)NCc1ccc(F)c(Cl)c1

BDBM50284502

CC(Oc1cccnc1Nc1ncccn1)c1cccc(c1)C(=O)NCc1ccc(C)cc1

BDBM50284501

CC(Oc1cccnc1Nc1nccs1)c1cccc(c1)C(=O)NCc1ccc(C)cc1

BDBM50284498

CC(Oc1cccnc1Nc1nncs1)c1cccc(c1)C(=O)NCc1ccc(C)cc1

BDBM50284500

CC(Oc1cccnc1Nn1cnnc1)c1cccc(c1)C(=O)NCc1ccc(C)cc1

BDBM50284509

CC(Oc1ccnc(NN2CCCCC2)c1)c1cccc(c1)C(=O)NCc1ccc(C)cc1

BDBM50284486

CC(Oc1ccnc(NN2CCN(C)CC2)c1)c1cccc(c1)C(=O)NCc1ccc(C)cc1

BDBM50284511

CC(Oc1ccnc(NN2CCN(C)CC2)c1)c1cccc(c1)C(=O)NCc1ccc(Cl)c(c1)C(F)(F)F

BDBM50284512

CC(Oc1ccnc(NN2CCOCC2)c1)c1cccc(c1)C(=O)NCc1ccc(C)cc1

BDBM50284493

CC(Oc1ccnc(Nc2cn(C)nc2C)c1)c1cccc(c1)C(=O)NCc1ccc(C)cc1

BDBM50284488

CC(Oc1ccnc(Nc2cnn(C)c2)c1)c1cccc(c1)C(=O)NCc1cc(F)cc(F)c1

BDBM50284494

CC(Oc1ccnc(Nc2cnn(C)c2)c1)c1cccc(c1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F

BDBM50284514

CC(Oc1ccnc(Nc2cnn(C)c2)c1)c1cccc(c1)C(=O)NCc1ccc(C)cc1

BDBM50284515

CC(Oc1ccnc(Nc2cnn(C)c2)c1)c1cccc(c1)C(=O)NCc1ccc(cc1)C#N

BDBM50284477

CC(Oc1ccnc(Nc2cnn(CC(C)(C)O)c2)c1)c1cccc(c1)C(=O)NCc1ccc(C)cc1

BDBM50284491

CC(Oc1ccnc(Nc2cnn(CC(C)(C)O)c2)c1)c1cccc(c1)C(=O)NCc1ccc(Cl)c(c1)C(F)(F)F

BDBM50284437

CC(Oc1ccnc(Nc2cnn(c2)C2CCN(C)CC2)c1)c1cccc(c1)C(=O)NCc1ccc(C)cc1

BDBM50284478

CC(Oc1ccnc(Nc2cnn(c2)C2CCN(C)CC2)c1)c1cccc(c1)C(=O)NCc1ccc(Cl)c(c1)C(F)(F)F

BDBM50284490

CC(Oc1ccnc(Nc2nc3ccccc3[nH]2)c1)c1cccc(c1)C(=O)NCc1ccc(C)cc1

BDBM267453

CC1(C)CNC(=O)c2cnn3ccc(nc23)N2CCC[C@@H]2c2cc(F)cnc2OC1 |r|

BDBM24773

CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12

BDBM50187716

CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2CCOCC2)CC1)C#N

BDBM374724

CC1Nc2ccn3ncc(C(=O)NCCOc4ccc(F)c(Cl)c14)c3n2

BDBM374712

CC1Oc2ccn3ncc(C(=O)NCCOc4ccc(F)c(Cl)c14)c3n2

BDBM647643

CCCOC(=O)\N=C(/N)c1cnn2ccc(N[C@H](C)c3cc(F)cc(F)c3F)nc12 |r|

BDBM25617

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F

BDBM4814

CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C

BDBM26300

CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1

BDBM50547653

CCN1CCN(CC1)C(=O)CS(=O)(=O)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC)c1

BDBM50355393

CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1

BDBM50577169

CCN1CCN(CC1)c1ccc(Nc2ncc3scc(-c4cccc(NS(C)(=O)=O)c4)c3n2)cc1

BDBM50547651

CCN1CCN(CCS(=O)(=O)c2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)c2)CC1

BDBM31085

CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1

BDBM31090

CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C

BDBM50161957

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C

BDBM647654

CCOc1ncc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NOCCN3)c2n1 |r,t:21|

BDBM555574

CCS(=O)(=O)NCc1ccc(cc1)C(=O)Nc1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r|

BDBM50273571

CCS(=O)(=O)Nc1ccc2NC(=O)C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)c2c1 |w:15.15|

BDBM7533

CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|

BDBM25121

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|

BDBM50362781

CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1

BDBM144309

CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(C)c2)nc1NC1CCOCC1

BDBM144327

CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(C)c2)nc1N[C@H]1CC[C@@](C)(O)CC1 |r,wU:36.40,wD:36.41,33.36,(3.3,-7.91,;3.3,-6.37,;1.97,-5.6,;.64,-6.37,;-.7,-5.6,;-2.03,-6.37,;-3.36,-5.6,;-2.03,-7.91,;-.7,-4.06,;-2.03,-3.29,;-2.03,-1.75,;-.7,-.98,;-.7,.56,;-2.03,1.33,;-2.03,2.87,;-.7,3.64,;-.7,5.18,;-2.03,5.95,;-3.36,5.18,;-3.36,3.64,;-2.03,7.49,;-3.36,8.26,;-3.36,9.8,;-2.03,10.57,;-2.03,12.11,;-.7,9.8,;-.7,8.26,;-3.36,.56,;-4.7,1.33,;-3.36,-.98,;.64,-3.29,;1.97,-4.06,;3.3,-3.29,;4.64,-4.06,;4.64,-5.6,;5.97,-6.37,;7.3,-5.6,;8.12,-6.91,;8.84,-5.65,;7.3,-4.06,;5.97,-3.29,)|

BDBM144325

CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(C)c2)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:33.36,wD:36.40,(6.63,1.24,;6.63,-.3,;5.29,-1.07,;3.91,-.33,;2.58,-1.1,;1.81,.24,;2.58,1.57,;.27,.24,;2.58,-2.64,;1.24,-3.41,;-.09,-2.64,;-.09,-1.1,;-1.42,-.33,;-2.76,-1.1,;-4.09,-.33,;-5.42,-1.1,;-6.76,-.33,;-6.76,1.21,;-5.42,1.98,;-4.09,1.21,;-8.09,1.98,;-8.09,3.52,;-9.43,4.29,;-10.81,3.55,;-12.14,4.32,;-10.76,1.98,;-9.43,1.21,;-2.81,-2.67,;-4.14,-3.44,;-1.42,-3.41,;3.91,-3.41,;5.24,-2.64,;6.58,-3.41,;7.91,-2.64,;7.91,-1.1,;9.25,-.33,;10.58,-1.1,;11.91,-.33,;10.58,-2.64,;9.25,-3.41,)|

BDBM144329

CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(C)c2)nc1N[C@H]1CC[C@](C)(O)CC1 |r,wU:36.41,wD:33.36,36.40,(3.43,-7.91,;3.43,-6.37,;2.09,-5.6,;.76,-6.37,;-.58,-5.6,;-1.91,-6.37,;-3.24,-5.6,;-1.91,-7.91,;-.58,-4.06,;-1.91,-3.29,;-1.91,-1.75,;-.58,-.98,;-.58,.56,;-1.91,1.33,;-1.91,2.87,;-.58,3.64,;-.58,5.18,;-1.91,5.95,;-3.24,5.18,;-3.24,3.64,;-1.91,7.49,;-3.24,8.26,;-3.24,9.8,;-1.91,10.57,;-1.91,12.11,;-.58,9.8,;-.58,8.26,;-3.24,.56,;-4.58,1.33,;-3.24,-.98,;.76,-3.29,;2.09,-4.06,;3.43,-3.29,;4.76,-4.06,;4.76,-5.6,;6.09,-6.37,;7.43,-5.6,;8.24,-6.91,;8.97,-5.65,;7.43,-4.06,;6.09,-3.29,)|

BDBM144315

CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(OC)c2)nc1NC1CCOCC1

BDBM144324

CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(c2)C(F)(F)F)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:39.43,wD:36.39,(6.59,1.24,;6.59,-.3,;5.26,-1.07,;3.88,-.33,;2.55,-1.1,;1.46,-.01,;1.85,1.48,;-.03,-.41,;2.55,-2.64,;1.21,-3.41,;-.12,-2.64,;-.12,-1.1,;-1.46,-.33,;-2.79,-1.1,;-4.12,-.33,;-5.46,-1.1,;-6.79,-.33,;-6.79,1.21,;-5.46,1.98,;-4.12,1.21,;-8.12,1.98,;-8.12,3.52,;-9.46,4.29,;-10.84,3.55,;-12.17,4.32,;-10.79,1.98,;-9.46,1.21,;-2.84,-2.67,;-1.46,-3.41,;-4.17,-3.44,;-5.5,-4.21,;-3.4,-4.77,;-4.94,-2.1,;3.88,-3.41,;5.21,-2.64,;6.55,-3.41,;7.88,-2.64,;9.21,-3.41,;10.55,-2.64,;10.55,-1.1,;11.88,-.33,;9.21,-.33,;7.88,-1.1,)|

BDBM144317

CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)c(F)c2)nc1NC1CCOCC1

BDBM144328

CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(CC3)C(C)C)c(C)c2)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:29.31,wD:32.35,(5.27,1.66,;5.27,.12,;3.94,-.65,;2.55,.09,;1.22,-.68,;.45,.65,;1.22,1.99,;-1.09,.65,;1.22,-2.22,;-.11,-2.99,;-1.45,-2.22,;-1.45,-.68,;-2.78,.09,;-4.11,-.68,;-5.45,.09,;-6.78,-.68,;-8.12,.09,;-8.16,1.66,;-6.78,2.4,;-5.45,1.63,;-9.5,2.43,;-10.83,1.66,;-9.5,3.97,;-4.16,-2.25,;-5.5,-3.02,;-2.78,-2.99,;2.55,-2.99,;3.89,-2.22,;5.22,-2.99,;6.56,-2.22,;6.56,-.68,;7.89,.09,;9.22,-.68,;10.56,.09,;9.22,-2.22,;7.89,-2.99,)|

BDBM144320

CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(CC3)C3CCN(C)CC3)c(C)c2)nc1NC1CCOCC1

BDBM144314

CCc1nc(C(N)=O)c(Nc2ccc(cc2)N2CCC(CC2)N2CCN(C)CC2)nc1NC1CCOCC1

BDBM144322

CCc1nc(C(N)=O)c(Nc2ccc(cc2)N2CCC(CC2)N2CCN(C)CC2)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:35.39,wD:32.35,(6.63,1.24,;6.63,-.3,;5.29,-1.07,;3.91,-.33,;2.58,-1.1,;1.81,.24,;2.58,1.57,;.27,.24,;2.58,-2.64,;1.24,-3.41,;-.09,-2.64,;-1.42,-3.41,;-2.76,-2.64,;-2.76,-1.1,;-1.42,-.33,;-.09,-1.1,;-4.09,-.33,;-5.42,-1.1,;-6.76,-.33,;-6.76,1.21,;-5.42,1.98,;-4.09,1.21,;-8.09,1.98,;-8.09,3.52,;-9.43,4.29,;-10.81,3.55,;-12.14,4.32,;-10.76,1.98,;-9.43,1.21,;3.91,-3.41,;5.24,-2.64,;6.58,-3.41,;7.91,-2.64,;9.25,-3.41,;10.58,-2.64,;10.58,-1.1,;11.91,-.33,;9.25,-.33,;7.91,-1.1,)|

BDBM144321

CCc1nc(C(N)=O)c(Nc2ccc(cc2)N2CCN(C)CC2)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:29.32,wD:26.28,(4.5,2.4,;4.5,.86,;3.17,.09,;1.79,.84,;.45,.07,;-.32,1.4,;.45,2.73,;-1.86,1.4,;.45,-1.47,;-.88,-2.24,;-2.22,-1.47,;-3.55,-2.24,;-4.88,-1.47,;-4.88,.07,;-3.55,.84,;-2.22,.07,;-6.22,.84,;-7.55,.07,;-8.88,.84,;-8.93,2.4,;-10.27,3.17,;-7.55,3.15,;-6.22,2.38,;1.79,-2.24,;3.12,-1.47,;4.45,-2.24,;5.79,-1.47,;7.12,-2.24,;8.45,-1.47,;8.45,.07,;9.79,.84,;7.12,.84,;5.79,.07,)|

BDBM25013

CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|

BDBM50355499

CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|

BDBM50359359

CN(C)CCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C

BDBM17055

CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|

BDBM50322823

CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|

BDBM26474

CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1

BDBM50182493

CN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(cn34)-c3cnn(C)c3)cc21

BDBM50513564

CN1CCC(CC1)Nc1ccc(Nc2cc(ccn2)N2CCC[C@@H](C2)C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1C |r|

BDBM50513571

CN1CCC(CC1)Nc1ccc(Nc2cc(ccn2)N2CCC[C@H](C2)C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1C |r|

BDBM144331

CN1CCN(CC1)C1CCN(CC1)c1ccc(Nc2nc(N[C@H]3CC[C@H](O)CC3)c(Cl)nc2C(N)=O)cc1C |r,wU:25.27,wD:22.23,(-12.05,4.35,;-10.72,3.58,;-9.34,4.32,;-8,3.55,;-8,2.01,;-9.34,1.24,;-10.67,2.01,;-6.67,1.24,;-6.67,-.3,;-5.33,-1.07,;-4,-.3,;-4,1.24,;-5.33,2.01,;-2.67,-1.07,;-1.33,-.3,;,-1.07,;,-2.61,;1.33,-3.38,;2.67,-2.61,;4,-3.38,;5.33,-2.61,;6.67,-3.38,;8,-2.61,;9.34,-3.38,;10.67,-2.61,;10.67,-1.07,;12,-.3,;9.34,-.3,;8,-1.07,;5.33,-1.07,;6.67,-.3,;4,-.3,;2.67,-1.07,;1.9,.27,;2.67,1.6,;.36,.27,;-1.33,-3.38,;-2.72,-2.63,;-4.05,-3.4,)|

BDBM50048374

CN1CCN(CC1)c1cc(F)c2c3nc(N)nn3c(Cc3ccc4OCOc4c3)nc2c1

BDBM13534

CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1

BDBM50384720

CN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1cccc(Nc2ccc3\C(=C\c4cc(c[nH]4)C(O)=O)C(=O)Nc3c2)c1

BDBM50384734

CN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1cccc(Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1

BDBM158154

CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1

BDBM50084464

CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(NC[C@H]3CCCO3)n2)cc1 |r|

BDBM50343559

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCO)c4-c3n2)C(N)=O)c1

BDBM25118

CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O

BDBM50021618

CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cccc(Cl)c2)C2CCCCC2)CC1 |r|

BDBM50355495

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1

BDBM13530

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1

BDBM5655

CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|

BDBM374714

CN1Cc2c(Cl)c(F)ccc2OCCNC(=O)c2cnn3ccc1nc23

BDBM374715

CN1Cc2cc(F)ccc2OCCNC(=O)c2c(C)nn3ccc1nc23

BDBM374713

CN1Cc2cc(F)ccc2OCCNC(=O)c2cnn3ccc1nc23

BDBM27817

CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12

BDBM16673

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1

BDBM25117

CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1

BDBM130909

CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13

BDBM139540

CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|

BDBM50059889

CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13

BDBM2579

CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|

BDBM31096

CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13

BDBM50341519

CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|

BDBM50538508

COC(=O)Nc1ccc(cc1)-c1c(OC2CCN(C)CC2)nc2c(cnn2c1N)-c1ccc(OC)c(OC)c1

BDBM50026612

COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1

BDBM31340

COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1

BDBM50592745

COCC1CN(C1)C1CCN(CC1)c1cc(OC)c(Nc2ncc(Br)c(Nc3ccc4OCCOc4c3P(C)(C)=O)n2)cc1C

BDBM50062359

COCCCNc1cc(nc(n1)-c1cccnc1)-c1cnc(C)nc1-c1ccc(Cl)cc1Cl

BDBM50062358

COCCCNc1cc(nc(n1)-c1cccnc1)-c1cnc(C)nc1-c1ccc(F)cc1Cl

BDBM5446

COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC

BDBM50509949

COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|

BDBM647656

CONC(=O)c1cnn2ccc(N[C@H](C)c3cc(F)cc(F)c3F)nc12 |r|

BDBM50326053

CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|

BDBM50326054

CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|

BDBM50309910

COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C

BDBM647652

COc1c(F)cc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NC(=O)C(C)(C)N3)c2n1 |r,t:21|

BDBM647650

COc1c(F)cc(F)cc1[C@@H](C)Nc1ccn2ncc(NC3=NC(C)(C)CO3)c2n1 |r,t:22|

BDBM50048842

COc1cc(C)cc(c1)-c1c(cnn1C)-c1cc(NCCCCO)nc(n1)-c1cccnc1

BDBM50048843

COc1cc(C)cc(c1)-c1c(cnn1C)-c1cc(NC[C@H](C)O)nc(n1)-c1cccnc1 |r|

BDBM50048841

COc1cc(C)cc(c1)-c1c(cnn1C)-c1cc(nc(n1)-c1cccnc1)N1CC(O)C1

BDBM50048852

COc1cc(C)cc(c1)-c1c(cnn1C)-c1cc(nc(n1)-c1cccnc1)N1CCOCC1

BDBM50062377

COc1cc(C)cc(c1)-c1c(cnn1CC#N)-c1ccnc(c1)-c1ccc(NC(C)=O)cc1

BDBM50048854

COc1cc(C)cc(c1)-c1nn(C)cc1-c1cc(NCCCCO)nc(n1)-c1cccnc1

BDBM50048853

COc1cc(C)cc(c1)-c1nn(C)cc1-c1cc(NC[C@H](C)O)nc(n1)-c1cccnc1 |r|

BDBM50048856

COc1cc(C)cc(c1)-c1nn(C)cc1-c1cc(nc(n1)-c1cccnc1)N1CC(O)C1

BDBM50048857

COc1cc(C)cc(c1)-c1nn(C)cc1-c1cc(nc(n1)-c1cccnc1)N1CCOCC1

BDBM50062384

COc1cc(C)cc(c1)-c1nn(CC#N)cc1-c1cc(NCC(C)C)nc(n1)-c1cccnc1

BDBM50062380

COc1cc(C)cc(c1)-c1nn(CC#N)cc1-c1cc(NCCCCO)nc(n1)-c1cccnc1

BDBM50062367

COc1cc(C)cc(c1)-c1nn(CC#N)cc1-c1cc(NCCCN2CCOCC2)nc(n1)-c1cccnc1

BDBM50062382

COc1cc(C)cc(c1)-c1nn(CC#N)cc1-c1cc(NCCCO)nc(n1)-c1cccnc1

BDBM50062369

COc1cc(C)cc(c1)-c1nn(CC#N)cc1-c1cc(NCCN2CCOCC2)nc(n1)-c1cccnc1

BDBM50075730

COc1cc(C)nc(Nc2cc(N[C@@H]3CS(=O)(=O)CC[C@@H]3N)cnc2C(N)=O)c1 |r|

BDBM50284518

COc1cc(CNC(=O)c2cccc(c2)C(C)Oc2ccnc(Nc3cnn(C)c3)c2)cc(OC)c1OC

BDBM50520589

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1

BDBM50525828

COc1cc(NC(=O)C2CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NC(C)=O)n1

BDBM50525834

COc1cc(NC(=O)N2CCCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NC(C)=O)n1

BDBM50525831

COc1cc(NC(=O)N2CCN(CCO)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NC(C)=O)n1

BDBM50525830

COc1cc(NC(=O)N2CCOCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NC(C)=O)n1

BDBM50525829

COc1cc(NC(=O)NC2CCC(=O)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NC(C)=O)n1

BDBM50547654

COc1cc(NC(=O)\C=C\CN2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1

BDBM50563359

COc1cc(NCC2CCCO2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1

BDBM4552

COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl

BDBM50284485

COc1cc(Nc2cc(OC(C)c3cccc(c3)C(=O)NCc3ccc(C)cc3)ccn2)cc(OC)c1OC

BDBM50513561

COc1cc(Nc2cc(ccn2)N2CCC[C@@H](C2)C(=O)NCc2ccc(C)cc2)cc(OC)c1OC |r|

BDBM144318

COc1cc(Nc2nc(NC3CCOCC3)c(nc2C(N)=O)C(C)C)ccc1N1CCN(C)CC1

BDBM60665

COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC

BDBM50563360

COc1cc(OCC2CCCO2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1

BDBM50355494

COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1

BDBM50563362

COc1cc(SCc2ccc(CN(C)C)o2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1

BDBM50563361

COc1cc(SCc2ccc(CN3CCCC3)o2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1

BDBM50513567

COc1cc(ccc1Nc1cc(ccn1)N1CCC[C@@H](C1)C(=O)NCc1ccc(OC(F)(F)F)cc1)N1CCC(CC1)N1CCN(C)CC1 |r|

BDBM50513568

COc1cc(ccc1Nc1cc(ccn1)N1CCC[C@@H](C1)C(=O)NCc1ccc(OC(F)(F)F)cc1)N1CCC(CC1)N1CCOCC1 |r|

BDBM50513563

COc1cc(ccc1Nc1cc(ccn1)N1CCC[C@@H](C1)C(=O)NCc1ccc(OC(F)(F)F)cc1)N1CCN(C)CC1 |r|

BDBM50513570

COc1cc(ccc1Nc1cc(ccn1)N1CCC[C@@H](C1)C(=O)NCc1ccc(OC(F)(F)F)cc1)N1CCNCC1 |r|

BDBM50513560

COc1cc(ccc1Nc1cc(ccn1)N1CCC[C@H](C1)C(=O)NCc1ccc(OC(F)(F)F)cc1)N1CCC(CC1)N1CCN(C)CC1 |r|

BDBM50513565

COc1cc(ccc1Nc1cc(ccn1)N1CCC[C@H](C1)C(=O)NCc1ccc(OC(F)(F)F)cc1)N1CCC(CC1)N1CCOCC1 |r|

BDBM50513566

COc1cc(ccc1Nc1cc(ccn1)N1CCC[C@H](C1)C(=O)NCc1ccc(OC(F)(F)F)cc1)N1CCNCC1 |r|

BDBM50525832

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2NC(C)=O)n1)N1CCCC1=O

BDBM50525833

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2NC(C)=O)n1)N1CCCNC1=O

BDBM50062357

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N(C)C

BDBM50185140

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1

BDBM50279682

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)-c1nc(CN2CCC(C)CC2)cs1

BDBM50279678

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)-c1nc(CN2CCN(C)CC2)cs1

BDBM50279681

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)-n1cc(CN2CCC(C)CC2)nn1

BDBM50279679

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)-n1cc(CN2CCN(C)CC2)nn1

BDBM50279680

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)-n1cc(CN2CCNCC2)nn1

BDBM50279684

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)-n1cc(CN2C[C@H](C)N[C@H](C)C2)nn1 |r|

BDBM482158

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1

BDBM50512151

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CC(=O)N(C)C)C1=O

BDBM50512147

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CC(=O)N2CCC(=O)CC2)C1=O

BDBM50512153

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CC(=O)N2CCN(C)CC2)C1=O

BDBM50512152

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CC(N)=O)C1=O

BDBM50512150

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CCCN)C1=O

BDBM50512149

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CCN(C)C)C1=O

BDBM50512148

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCNC1=O

BDBM50547652

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)S(=O)(=O)CC(=O)N1CCN(C)CC1

BDBM21

COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1

BDBM50355504

COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|

BDBM50399540

COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1

BDBM50331096

COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1

BDBM50554817

COc1cc2c(c(F)c1N1C[C@H](C)N(C)[C@H](C)C1)n(C(C)C)c1[nH]c3cc(ccc3c1c2=O)C#N |r|

BDBM13535

COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1

BDBM5447

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1

BDBM50284517

COc1ccc(CNC(=O)c2cccc(c2)C(C)Oc2ccnc(Nc3cnn(C)c3)c2)cc1OC

BDBM50284519

COc1ccc(CNC(=O)c2cccc(c2)C(C)Oc2ccnc(Nc3cnn(c3)C3CCN(C)CC3)c2)cc1OC

BDBM50284508

COc1ccc(CNC(=O)c2cccc(c2)C(C)Oc2ccnc(Nc3cnn(c3)C3CCNCC3)c2)cc1OC

BDBM50284436

COc1ccc(CNC(=O)c2cccc(c2)C(C)Oc2ccnc(Nc3ncccn3)c2)cc1OC

BDBM32362

COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1

BDBM12621

COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N

BDBM647639

COc1ccc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NC(=O)C(C)(C)N3)c2n1 |r,t:20|

BDBM647644

COc1ccc(F)cc1[C@@H](C)Nc1ccn2ncc(NC3=NC(C)(C)CN3)c2n1 |r,t:21|

BDBM647633

COc1ccc(F)cc1[C@@H](C)Nc1ccn2ncc(NC3=NC(C)(C)CO3)c2n1 |r,t:21|

BDBM647646

COc1ccc(F)cc1[C@@H](C)Nc1ccn2ncc(OC3=NC(C)(C)CN3)c2n1 |r,t:21|

BDBM50204639

COc1ccc(\C=N\Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1

BDBM50062378

COc1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1cc(C)cc(OC)c1

BDBM50204620

COc1ccc(cc1)C(\C)=N\Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1

BDBM50538507

COc1ccc(cc1OC)-c1cnn2c(N)c(-c3ccccc3)c(OC3CCN(C)CC3)nc12

BDBM50538509

COc1ccc(cc1OC)-c1cnn2c(N)c(-c3nccs3)c(OC3CCN(C)CC3)nc12

BDBM50284484

COc1cccc(CNC(=O)c2cccc(c2)C(C)Oc2cccnc2Nc2cnn(C)c2)c1

BDBM50284496

COc1cccc(CNC(=O)c2cccc(c2)C(C)Oc2ccnc(Nc3cnn(C)c3)c2)c1

BDBM50204617

COc1cccc(\C=N\Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1

BDBM50467299

COc1nc(ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(=O)(=O)C2CC2)n1)N1CCN(C)CC1

BDBM50467294

COc1nc(ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1)N1CC(O)C1

BDBM50467298

COc1nc(ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1)N1CCN(C)CC1

BDBM50467296

COc1nc(ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1)N1CCN(CCO)CC1

BDBM50467297

COc1nc(ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1)N1CCSCC1

BDBM647642

COc1ncc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NC(=O)C(C)(C)N3)c2n1 |r,t:20|

BDBM5445

CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

BDBM25028

CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1

BDBM50463479

CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1

BDBM13336

CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

BDBM6568

CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|

BDBM130911

C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3C(=O)N(CCN(C)C)C(=O)c3cc2[nH]1 |r|

BDBM130912

C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3C(=O)N(CCN(C)C)Cc3cc2[nH]1 |r|

BDBM130910

C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3C(=O)N(Cc3cc2[nH]1)C1CCN(C)CC1 |r|

BDBM50565310

C[C@@H](Nc1ccc2[nH]nc(\C=C\c3ccccn3)c2c1)c1cc(F)cc(F)c1 |r|

BDBM647645

C[C@@H](Nc1ccn2ncc(C(=O)NOCCO)c2n1)c1cc(F)cc(F)c1F |r|

BDBM647640

C[C@@H](Nc1ccn2ncc(C3=NC(=O)C(C)(C)N3)c2n1)c1cc(F)cc(F)c1F |r,t:10|

BDBM647653

C[C@@H](Nc1ccn2ncc(C3=NC(=O)C(C)(C)N3)c2n1)c1cc(F)ccc1OC(F)(F)F |r,t:10|

BDBM647638

C[C@@H](Nc1ccn2ncc(C3=NC(=O)C(C)(C)N3)c2n1)c1cc(F)ccc1OC(F)F |r,t:10|

BDBM647657

C[C@@H](Nc1ccn2ncc(C3=NC(=O)C(C)(C)N3)c2n1)c1cc(F)cnc1OC(F)(F)F |r,t:10|

BDBM647655

C[C@@H](Nc1ccn2ncc(C3=NC(=O)C(C)(C)N3)c2n1)c1cc(F)cnc1OCC(F)(F)F |r,t:10|

BDBM647637

C[C@@H](Nc1ccn2ncc(C3=NN=CC(C)(C)N3)c2n1)c1cc(F)cc(F)c1F |r,c:12,t:10|

BDBM647636

C[C@@H](Nc1ccn2ncc(C3=NOCC(C)(C)N3)c2n1)c1cc(F)cc(F)c1F |r,t:10|

BDBM647648

C[C@@H](Nc1ccn2ncc(C3=NOCC(C)(C)N3)c2n1)c1cc(F)ccc1OC(F)F |r,t:10|

BDBM647635

C[C@@H](Nc1ccn2ncc(C3=NOCCN3)c2n1)c1cc(F)cc(F)c1F |r,t:10|

BDBM647651

C[C@@H](Nc1ccn2ncc(C3=NOCCN3)c2n1)c1cc(F)cc(c1F)C(F)(F)F |r,t:10|

BDBM647659

C[C@@H](Nc1ccn2ncc(C3=NOCCN3)c2n1)c1cc(F)ccc1C(F)(F)F |r,t:10|

BDBM647660

C[C@@H](Nc1ccn2ncc(C3=NOCCN3)c2n1)c1cc(F)ccc1C(F)F |r,t:10|

BDBM647658

C[C@@H](Nc1ccn2ncc(C3=NOCCN3)c2n1)c1cc(F)ccc1OC(F)(F)F |r,t:10|

BDBM647641

C[C@@H](Nc1ccn2ncc(C3=NOCCN3)c2n1)c1cc(F)ccc1OC(F)F |r,t:10|

BDBM647634

C[C@@H](Nc1ccn2ncc(NC3=NC(C)(C)CO3)c2n1)c1cc(F)cc(F)c1F |r,t:11|

BDBM647649

C[C@@H](Nc1ccn2ncc(NC3=NCC(C)(C)N3)c2n1)c1cc(F)cc(F)c1F |r,t:11|

BDBM647647

C[C@@H](Nc1ccn2ncc(OC3=NCC(C)(C)N3)c2n1)c1cc(F)cc(F)c1F |r,t:11|

BDBM50184807

C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C

BDBM50529030

C[C@@H](Oc1cc(cnc1N)-c1ccn(CCN(C)C)c(=O)c1)c1c(Cl)ccc(F)c1Cl |r|

BDBM50306682

C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|

BDBM50448785

C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1 |r|

BDBM50355500

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|

BDBM50193995

C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|

BDBM50507492

C[C@@H]1CCc2ncc(F)cc2[C@H]2CCCN2c2ccn3ncc(C(=O)N1)c3n2

BDBM50537742

C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|

BDBM50048847

C[C@H](O)CNc1cc(nc(n1)-c1cccnc1)-c1cn(C)nc1-c1cc(C)cc(O)c1 |r|

BDBM50296896

C[C@H](O)CNc1cc(nc(n1)-c1cccnc1)-c1cn(CC#N)nc1-c1cc(C)cc(O)c1 |r|

BDBM50048851

C[C@H](O)CNc1cc(nc(n1)-c1cccnc1)-c1cnn(C)c1-c1cc(C)cc(O)c1 |r|

BDBM446757

C[C@H]1CCc2ncc(F)cc2[C@H]2CCCN2c2ccn3ncc(C(=O)N1)c3n2 |r|

BDBM374727

C[C@H]1CNC(=O)c2cnn3ccc(N[C@H](C)c4cc(F)ccc4O1)nc23 |r|

BDBM267452

C[C@H]1CNC(=O)c2cnn3ccc(nc23)N2CCC[C@@H]2c2cc(F)cn(C1)c2=O |r|

BDBM374723

C[C@H]1Nc2ccn3ncc(C(=O)NCCOc4ccc(F)cc14)c3n2 |r|

BDBM50519598

C[C@H]1Oc2cc(Cc3c(CN(C)C(=O)c4ccc(F)cc14)nn(C)c3C#N)cnc2N |r|

BDBM50018830

C[C@H]1Oc2cc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nn(C)c2C#N |r|

BDBM50308060

C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|

BDBM31095

Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1

BDBM50242737

Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|

BDBM50429867

Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O

BDBM50048850

Cc1cc(O)cc(c1)-c1c(cnn1C)-c1cc(NCCCCO)nc(n1)-c1cccnc1

BDBM50048849

Cc1cc(O)cc(c1)-c1c(cnn1C)-c1cc(nc(n1)-c1cccnc1)N1CC(O)C1

BDBM50048848

Cc1cc(O)cc(c1)-c1c(cnn1C)-c1cc(nc(n1)-c1cccnc1)N1CCOCC1

BDBM50048846

Cc1cc(O)cc(c1)-c1nn(C)cc1-c1cc(NCCCCO)nc(n1)-c1cccnc1

BDBM50048845

Cc1cc(O)cc(c1)-c1nn(C)cc1-c1cc(nc(n1)-c1cccnc1)N1CC(O)C1

BDBM50048844

Cc1cc(O)cc(c1)-c1nn(C)cc1-c1cc(nc(n1)-c1cccnc1)N1CCOCC1

BDBM50062373

Cc1cc(O)cc(c1)-c1nn(CC#N)cc1-c1cc(NCCCCO)nc(n1)-c1cccnc1

BDBM50062370

Cc1cc(O)cc(c1)-c1nn(CC#N)cc1-c1cc(NCCCN2CCOCC2)nc(n1)-c1cccnc1

BDBM50062365

Cc1cc(O)cc(c1)-c1nn(CC#N)cc1-c1cc(NCCCO)nc(n1)-c1cccnc1

BDBM50062371

Cc1cc(O)cc(c1)-c1nn(CC#N)cc1-c1cc(NCCN2CCOCC2)nc(n1)-c1cccnc1

BDBM50300460

Cc1cc(O)cc(c1)-c1nn(CC#N)cc1-c1ccnc(c1)-c1cccnc1

BDBM21079

Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1

BDBM50384727

Cc1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1Nc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1

BDBM13533

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C

BDBM50237710

Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F

BDBM50384725

Cc1cn(cn1)-c1cc(cc(c1)C(F)(F)F)C(=O)Nc1cccc(Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1

BDBM50332294

Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C

BDBM25919

Cc1cnc2c(NCCN)nc3ccc(C)cc3n12

BDBM50240781

Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1cc(Cl)ccc1O |r|

BDBM50240780

Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1cc(F)ccc1O |r|

BDBM50240782

Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1ccc(F)cc1O |r|

BDBM15138

Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|

BDBM13216

Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1

BDBM50062361

Cc1ncc(-c2ccnc(c2)-c2cccnc2)c(n1)-c1ccc(Cl)cc1Cl

BDBM50062360

Cc1ncc(-c2ccnc(c2)-c2cccnc2)c(n1)-c1ccc(F)cc1Cl

BDBM50513562

Cc1nn(C)cc1Nc1cc(ccn1)N1CCC[C@@H](C1)C(=O)NCc1ccc(OC(F)(F)F)cc1 |r|

BDBM50513569

Cc1nn(C)cc1Nc1cc(ccn1)N1CCC[C@H](C1)C(=O)NCc1ccc(OC(F)(F)F)cc1 |r|

BDBM4851

Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1

BDBM24654

Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1

BDBM31088

Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12

BDBM50135286

Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F

BDBM50128285

Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|

BDBM50399015

Cn1cc(NC(=O)c2cnn3ccc(N)nc23)c(n1)-c1cc(Cl)ccc1Cl

BDBM60589

Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1

BDBM50355497

Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO

BDBM50384721

FC(F)(F)c1cccc(NC(=O)Nc2cccc(Nc3ccc4\C(=C\c5ccc[nH]5)C(=O)Nc4c3)c2)c1

BDBM50384726

FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1

BDBM50132260

Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F

BDBM4779

Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl

BDBM15244

Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|

BDBM267436

Fc1ccc2OCCCNC(=O)c3cnn4ccc(nc34)N3CCC[C@@H]3c2c1 |r|

BDBM50092079

Fc1cccc(c1)[C@H]1CCCN1c1ccc2ncc(-c3ccccn3)n2n1 |r|

BDBM446700

Fc1cnc2CCCCNC(=O)c3cnn4ccc(nc34)N3CCC[C@@H]3c2c1 |r|

BDBM267434

Fc1cnc2OCC(F)(F)CNC(=O)c3cnn4ccc(nc34)N3CCC[C@@H]3c2c1 |r|

BDBM50581357

Fc1cnc2OCC3(CC3)NC(=O)c3cnn4ccc(nc34)N3CCCC[C@@H]3c2c1 |r|

BDBM50581355

Fc1cnc2OCC3(CC3)NC(=O)c3cnn4ccc(nc34)N3CCNC[C@@H]3c2c1 |r|

BDBM50581356

Fc1cnc2OCC3(CC3)NC(=O)c3cnn4ccc(nc34)N3CCOC[C@@H]3c2c1 |r|

BDBM267407

Fc1cnc2OCCCNC(=O)c3cnn4ccc(nc34)N3CCC[C@@H]3c2c1 |r|

BDBM267416

Fc1cnc2OCCNC(=O)c3cnn4ccc(nc34)N3CCC[C@@H]3c2c1 |r|

BDBM267424

Fc1cnc2OCCOC(=O)c3cnn4ccc(nc34)N3CCC[C@@H]3c2c1 |r|

BDBM50355501

N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|

BDBM50092080

N#Cc1ccc(cc1)-c1cnc2ccc(NCc3ccccc3)nn12

BDBM50110208

NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1

BDBM50076185

N[C@H]1CCCC[C@H]1Nc1nnc(C(N)=O)c(Nc2cccc3cc[nH]c23)n1 |r|

BDBM25084

Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1

BDBM6866

Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F

BDBM50048357

Nc1nc2c3c(F)cccc3nc(Cc3ccc4OCOc4c3)n2n1

BDBM50048362

Nc1nc2c3ccc(N)cc3nc(Cc3ccc4OCOc4c3)n2n1

BDBM50048365

Nc1nc2c3ccc(NCCO)cc3nc(Cc3ccc4OCOc4c3)n2n1

BDBM50097956

Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCCC1

BDBM50463483

O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12

BDBM50462709

O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1

BDBM50355496

O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1

BDBM266501

O=C1NCCCOc2cccc(n2)[C@H]2CCCN2c2ccn3ncc1c3n2 |r|

BDBM50499634

OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1

BDBM50092082

OC(=O)CN1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|

BDBM31093

OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|

BDBM50092081

OC1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|

BDBM50048364

OCCCNc1ccc2c3ncnn3c(nc2c1)-c1ccc2OCOc2c1

BDBM25628

OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O

BDBM50240779

OC[C@H](Nc1cnc(-c2cc(Cl)ccc2O)c(c1)-c1ccc2cnccc2c1)c1ccccc1 |r|

BDBM267414

O[C@@H]1CNC(=O)c2cnn3ccc(nc23)N2CCC[C@@H]2c2cc(F)cnc2OC1 |r|

BDBM267469

O[C@H]1CNC(=O)c2cnn3ccc(nc23)N2CC(F)(F)CC2c2cc(F)ccc2OC1 |r|

BDBM13531

Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

BDBM25045

Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1

BDBM31094

[H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2|

BDBM50505541

[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|