SMILES for Macrophage-stimulating protein receptor

217 SMILES Strings for Macrophage-stimulating protein receptor

Compound Name

SMILES String

CC(=O)N1CCC(=CC1)c1cc2nccc(Oc3ccc(NC(=O)c4cnn(c4C(F)(F)F)-c4ccccc4)cc3F)c2s1 |c:6|

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,)|

BDBM50341628

CC(=O)N1CCN(CC1)c1cnc2cc(cc(NCc3cccc(c3)[N+]([O-])=O)c2c1)C(F)(F)F

BDBM50427140

CC(C(N)=O)c1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1

BDBM50401152

CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1

BDBM50563891

CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCCOc34)cc2)no1

BDBM50300690

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

BDBM50334268

CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1

BDBM5931

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

BDBM36409

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

BDBM50241992

CC(c1cc2cc(cnc2cc1F)-c1cnn(C)c1)n1nnc2ncc(nc12)-c1cnn(CCO)c1

BDBM24773

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

BDBM50187716

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

BDBM25617

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

BDBM50317327

CCCc1c(cnn1-c1ccccc1)C(=O)Nc1ccc(Oc2ccnc3cc(sc23)-c2cn(C)cn2)c(F)c1

BDBM50443993

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

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

BDBM50355393

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

BDBM50507551

CCN1CCN(CCCOc2cc3nccc(Oc4c(F)cc(NC(=O)NN5C(SCC5=O)c5c(F)cccc5F)cc4F)c3cc2OC)CC1

BDBM31085

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

BDBM50345444

CCOC(=O)c1c2c3cccc4cccc(c2nc1=O)c34

BDBM50161957

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

BDBM28031

CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1

BDBM25121

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

BDBM251929

CCc1c(cnn1-c1cncnc1)C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1

BDBM25013

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

BDBM50091026

CN(C(=O)c1cnn(c1C(F)(F)F)-c1ccccc1)c1ccc(Oc2ccnc3cc(sc23)-c2cn(C)cn2)c(F)c1

BDBM50317335

CN(C)C(=O)c1ccc(cc1)-c1cc2nccc(Oc3ccc(NC(=O)c4cnn(c4C(F)(F)F)-c4ccccc4)cc3F)c2s1

BDBM50317338

CN(C)C(=O)c1ccc(nc1)-c1cc2nccc(Oc3ccc(NC(=O)c4cnn(c4C(F)(F)F)-c4ccccc4)cc3F)c2s1

BDBM50355499

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

BDBM50317336

CN(C)CCN(C)C(=O)c1ccc(cc1)-c1cc2nccc(Oc3ccc(NC(=O)c4cnn(c4C(F)(F)F)-c4ccccc4)cc3F)c2s1

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|

BDBM50347681

CN(C)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1

BDBM50317337

CN(C)[C@H]1CCN(C1)C(=O)c1ccc(cc1)-c1cc2nccc(Oc3ccc(NC(=O)c4cnn(c4C(F)(F)F)-c4ccccc4)cc3F)c2s1 |r|

BDBM50519662

CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1

BDBM50347659

CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1 |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

BDBM50242740

CN1C(=O)N(Cc2cnc(N)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C

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

BDBM50399676

CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1

BDBM25118

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

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|

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

BDBM50317325

CNC(=O)c1cc(Oc2ccc(NC(=O)c3cnn(c3C(F)(F)F)-c3ccccc3)cc2F)ccn1

BDBM25117

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

BDBM50443366

CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(Cl)c(OC(=O)N(C)C)cc3oc2=O)c1

BDBM139540

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

BDBM2579

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

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

BDBM50317339

COCCNC(=O)c1ccc(nc1)-c1cc2nccc(Oc3ccc(NC(=O)c4cnn(c4C(F)(F)F)-c4ccccc4)cc3F)c2s1

BDBM5446

COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC

BDBM50564969

COCC\C(Nc1ccc(Oc2ccnc3cc(OCCCN4CCOCC4)c(OC)cc23)c(F)c1)=N/S(=O)(=O)Cc1ccc(Cl)cc1

BDBM50237288

COCCn1cc(NC(=O)c2csc(n2)-c2nncn2C(C)C)cn1

BDBM50509949

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

BDBM50317333

COC[C@H](C)N(Cc1ccc(cc1)-c1cc2nccc(Oc3ccc(NC(=O)c4cnn(c4C(F)(F)F)-c4ccccc4)cc3F)c2s1)C(C)=O |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

BDBM4552

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

BDBM60665

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

BDBM50355494

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

BDBM482158

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

BDBM21

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

BDBM50102822

COc1cc2c(Oc3ccc(CC(=O)N\N=C\c4ccc(cc4)C(F)(F)F)cc3F)ccnc2cc1OCCCN1CCCC1

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

BDBM50297394

COc1cc2c(Oc3ccc(NC(=O)NN4C(SCC4=O)c4c(F)cccc4F)c(F)c3)ccnc2cc1OCCCN1CCCC1

BDBM50555904

COc1cc2c(Oc3ccc(NC(=O)NN4C(SCC4=O)c4c(F)cccc4F)cc3)ccnc2cc1OC1CCN(CC1)C(=O)NC(C)C

BDBM50555902

COc1cc2c(Oc3ccc(NC(=O)NN4C(SCC4=O)c4ccccc4)cc3)ccnc2cc1OC1CCN(CC1)C(=O)NC(C)C

BDBM50555903

COc1cc2c(Oc3ccc(NC(=O)NN4C(SCC4=O)c4ccccc4F)cc3)ccnc2cc1OC1CCN(CC1)C(=O)NC(C)C

BDBM50439772

COc1cc2c(Oc3ccc(NC(=O)NN=Cc4ccc(F)cc4F)cc3F)ccnc2cc1OCCCN1CCC(C)CC1 |w:15.14|

BDBM50510569

COc1cc2c(Oc3ccc(NC(=O)NS(=O)(=O)Cc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCCC1

BDBM50147893

COc1cc2c(Oc3ccc(NC(=O)N\N=C\c4cccc(CC=C)c4O)cc3F)ccnc2cc1OCCCN1CCCCC1

BDBM50103899

COc1cc2c(Oc3ccc(NC(=O)c4[nH]c(=O)n(c4C)-c4ccccc4Cl)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 |(3.99,-2.77,;3.99,-1.54,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-3.08,;-2.66,-3.85,;-3.99,-3.09,;-5.32,-3.86,;-5.32,-5.4,;-6.65,-6.18,;-6.64,-7.72,;-5.58,-8.33,;-7.98,-8.49,;-9.36,-7.86,;-10.39,-9.01,;-11.62,-8.88,;-9.62,-10.34,;-8.11,-10.02,;-7.19,-10.83,;-10.24,-11.75,;-9.24,-12.92,;-9.75,-14.37,;-11.27,-14.65,;-12.27,-13.48,;-11.75,-12.03,;-12.55,-11.09,;-3.98,-6.17,;-2.65,-5.39,;-1.58,-6.01,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.99,1.54,;3.99,3.08,;5.33,3.86,;5.32,5.4,;6.66,6.17,;6.66,7.71,;7.99,8.48,;9.32,7.71,;10.39,8.33,;9.32,6.17,;7.99,5.4,)|

BDBM50185415

COc1cc2c(Oc3ccc(NC(=O)c4cn(nn4)-c4ccccc4Cl)cc3F)ccnc2cc1OCCCN1CCCCC1

BDBM50269498

COc1cc2c(Oc3ccc(NC(=O)c4nc5ccccc5n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1OCCCN1CCN(C)CC1

BDBM50205140

COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5F)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1

BDBM50588796

COc1cc2c(Oc3ccc(Nc4nn(C)cc4C(=O)NC4CCCCC4)cc3F)ccnc2cc1OCCCN1CCOCC1

BDBM120816

COc1cc2c(Oc3ccc(cc3F)N=Cc3c(C)[nH]n(-c4ccccc4C(F)(F)F)c3=O)ccnc2cc1OCCCN1CCOCC1 |w:14.14|

BDBM50331096

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

BDBM50555905

COc1cc2c(Sc3ccc(NC(=O)NN4C(SCC4=O)c4c(F)cccc4F)cc3)cc(N)nc2cc1OC1CCN(CC1)C(=O)NC(C)C

BDBM13535

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

BDBM50551663

COc1cc2nccc(Oc3ccc(NC(=O)C(OC(=O)c4ccc(F)cc4)C(C)(C)C)cc3F)c2cc1OC

BDBM50021574

COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC

BDBM50383191

COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)c2cc1OC

BDBM50317324

COc1cc2nccc(Oc3ccc(NC(=O)c4cnn(c4C(F)(F)F)-c4ccccc4)cc3F)c2cc1OC

BDBM206104

COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12

BDBM5447

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

BDBM50565700

COc1cc2ncnc(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)c2cc1OC

BDBM32362

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

BDBM50338873

COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)ccc3C)c2N)cc1

BDBM12621

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

BDBM50538507

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

BDBM50538509

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

BDBM50364832

COc1ccc(cc1\C=C\c1ccc(Cl)cc1)C(=O)NC[C@@H](O)CO |r|

BDBM50364833

COc1ccc(cc1\C=C\c1ccc(Cl)cc1)C(=O)NC[C@H](O)CO |r|

BDBM24466

COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1

BDBM50115202

COc1cccc(c1)-c1c(cnn1-c1ccccc1)C(=O)Nc1ccc(Oc2ccnc3cc(sc23)-c2cn(C)cn2)c(F)c1

BDBM50551837

COc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1

BDBM50317334

CS(=O)(=O)CCNCc1ccc(cc1)-c1cc2nccc(Oc3ccc(NC(=O)c4cnn(c4C(F)(F)F)-c4ccccc4)cc3F)c2s1

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,)|

BDBM50184807

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

BDBM50437161

C[C@@H](Oc1c(N)ncc2c(coc12)C1=CCN(CC1)C(N)=O)c1c(Cl)ccc(F)c1Cl |r,t:15|

BDBM50432892

C[C@@H](Oc1c[nH]c(=O)c(c1)C(=O)Nc1ccc(cc1)N1CCN(C)CC1)c1c(Cl)ccc(F)c1Cl |r|

BDBM50306682

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

BDBM50355500

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

BDBM50306677

C[C@@H](Oc1ccc2ncc(\C=C\C(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl |r|

BDBM50306684

C[C@@H](Oc1ccc2ncc(cc2c1)C1CC1C(N)=O)c1c(Cl)ccc(F)c1Cl |r|

BDBM50306683

C[C@@H](Oc1ccc2ncccc2c1)c1c(Cl)ccc(F)c1Cl |r|

BDBM50442259

C[C@@H](Sc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|

BDBM50536479

C[C@@H](c1cc2cccnc2cc1F)n1cnc2ncc(nc12)-c1cnn(C)c1 |r|

BDBM50193995

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

BDBM106870

C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|

BDBM50537742

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

BDBM50390444

C[C@H](NC(=O)c1cc(cnc1N)-c1cnn(c1)C1CCOCC1)c1c(Cl)ccc(F)c1Cl |r|

BDBM50437157

C[C@H](Oc1c(N)ncc2c(coc12)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |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|

BDBM50317326

Cc1c(cnn1-c1ccccc1)C(=O)Nc1ccc(Oc2ccnc3cc(sc23)-c2cn(C)cn2)c(F)c1

BDBM4810

Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1

BDBM50172078

Cc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1

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

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

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

BDBM50363167

Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12

BDBM139539

Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(Sc2ccc(F)cc2)c1=O

BDBM50135286

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

BDBM50519419

Cn1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)c(F)c3)nccc12

BDBM50128285

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

BDBM50358288

Cn1cc(cn1)-c1ccc2nnc(Cc3cccc4c3cc[nH]c4=O)n2n1

BDBM60589

Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1

BDBM50143216

Cn1cc(cn1)-c1cnc(Nc2cccc(Cn3nc(ccc3=O)-c3cnn(C)c3)c2)nc1

BDBM50427141

Cn1cc(cn1)-c1cnc2ccc3ccc(CC(=O)NCc4ccccc4)cc3c(=O)c2c1

BDBM50427142

Cn1cc(cn1)-c1cnc2ccc3ccc(CC(N)=O)cc3c(=O)c2c1

BDBM50427138

Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4ccccn4)cc3c(=O)c2c1

BDBM50427139

Cn1cc(cn1)-c1cnc2ccc3ccc(cc3c(=O)c2c1)C(O)C(N)=O

BDBM50317332

Cn1ccnc1-c1cc2nccc(Oc3ccc(NC(=O)c4cnn(c4C(F)(F)F)-c4ccccc4)cc3F)c2s1

BDBM50306507

Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)CC(Nc4ccccc4)C(F)(F)F)cc3F)c2s1

BDBM50247962

Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)N4CCN(C4=O)c4ccccc4)cc3F)c2s1

BDBM50115198

Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)c4cc(-c5ccccc5)n(c4)-c4ccccc4)cc3F)c2s1

BDBM50091030

Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)c4ccn(c4C(F)(F)F)-c4ccccc4)cc3F)c2s1

BDBM50115200

Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)c4cn(nc4-c4ccccc4)-c4ccccc4)cc3F)c2s1

BDBM50090967

Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)c4cn(nc4C(F)(F)F)-c4ccccc4)cc3F)c2s1

BDBM50317330

Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)c4cnn(C)c4C(F)(F)F)cc3F)c2s1

BDBM50317328

Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)c4cnn(c4)-c4ccccc4)cc3F)c2s1

BDBM50115201

Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)c4cnn(c4-c4ccccc4)-c4ccccc4)cc3F)c2s1

BDBM50115197

Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)c4cnn(c4-c4ccccc4F)-c4ccccc4)cc3F)c2s1 |(7.42,-1.7,;6.48,-.91,;6.59,.63,;5.16,1.21,;4.2,.03,;4.99,-1.28,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-3.69,-3.1,;-5.02,-3.88,;-5.02,-5.42,;-6.35,-6.19,;-6.34,-7.73,;-5.27,-8.35,;-7.67,-8.51,;-9.06,-7.88,;-10.09,-9.02,;-9.32,-10.35,;-7.81,-10.03,;-6.66,-11.05,;-7.09,-12.53,;-6.02,-13.64,;-4.53,-13.27,;-4.1,-11.79,;-5.17,-10.68,;-4.83,-9.5,;-9.94,-11.76,;-9.13,-13.07,;-9.86,-14.43,;-11.4,-14.47,;-12.21,-13.17,;-11.48,-11.81,;-3.68,-6.18,;-2.35,-5.41,;-1.28,-6.02,;.3,-.77,;1.76,-1.24,)|

BDBM50115196

Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)c4cnn(c4-c4ccccn4)-c4ccccc4)cc3F)c2s1

BDBM50115203

Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)c4cnn(c4-c4cccnc4)-c4ccccc4)cc3F)c2s1

BDBM50090966

Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)c4cnn(c4C(F)(F)F)-c4ccc(F)cc4)cc3F)c2s1

BDBM50317323

Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)c4cnn(c4C(F)(F)F)-c4ccccc4)cc3F)c2s1

BDBM50317331

Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)c4cnn(c4C(F)(F)F)C(C)(C)C)cc3F)c2s1

BDBM50317329

Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)c4cnn(c4N)-c4ccccc4)cc3F)c2s1

BDBM50090969

Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)c4ncn(c4C(F)(F)F)-c4ccccc4)cc3F)c2s1

BDBM50090968

Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)c4nnn(c4C(F)(F)F)-c4ccccc4)cc3F)c2s1

BDBM50115199

Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)c4sc(nc4-c4ccccc4)-c4ccccc4)cc3F)c2s1

BDBM50306503

Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(CC(=O)Nc4ccccc4)C(F)(F)F)cc3F)c2s1

BDBM50114393

Cn1cnc(c1)-c1cc2nccc(Oc3ccc(cc3F)N3CC(=O)Nc4c(cnn4-c4ccccc4)C3=O)c2s1

BDBM50114394

Cn1cnc(c1)-c1cc2nccc(Oc3ccc(cc3F)N3CC=Cc4c(cnn4-c4ccccc4)C3=O)c2s1 |c:25|

BDBM50114396

Cn1cnc(c1)-c1cc2nccc(Oc3ccc(cc3F)N3CCCc4c(cnn4-c4ccccc4)C3=O)c2s1

BDBM50114398

Cn1cnc(c1)-c1cc2nccc(Oc3ccc(cc3F)N3CCc4c(cnn4-c4ccccc4)C3=O)c2s1

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

BDBM9503

FC(F)(F)c1cccc(NC(=O)c2ccccc2NCc2ccncc2)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

BDBM50443999

Fc1ccc(Nc2ncnc3cc(O[C@H]4CCOC4)c(NC(=O)NCCN4CCCC4)cc23)cc1Cl |r|

BDBM50007744

Fc1ccc(Nc2ncnc3sc(NC(=O)C=C)cc23)cc1Cl

BDBM50007745

Fc1ccc(Nc2ncnc3sc(NC(=O)\C=C\CN4CC5CCC4C(=O)C5)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,)|

BDBM50537746

Fc1ccc(cc1)-n1cc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c(=O)c2ccccc12

BDBM50350069

Fc1ccc(cc1)-n1cccc(C(=O)Nc2ccc(Oc3ncnc4scc(-c5ccccc5)c34)c(F)c2)c1=O

BDBM50313604

Fc1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O

BDBM50079565

Fc1ccc2ccn(-c3ccc(=O)n(CCOc4ccnc5cc(OCCCN6CCOCC6)ccc45)n3)c2c1

BDBM50355501

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

BDBM50092080

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

BDBM25084

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

BDBM50384006

Nc1ncc(cc1-c1nc2ccc(O)cc2o1)-c1cnn(c1)C1CCNCC1

BDBM50146164

Nc1nccc(Oc2ccc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2F)c1Cl

BDBM50097956

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

BDBM50575343

Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CO)C1 |r,wU:17.19,19.22,(11.65,-9.07,;11.66,-10.61,;12.99,-11.37,;13,-12.92,;11.66,-13.69,;10.32,-12.92,;8.86,-13.4,;7.95,-12.16,;8.85,-10.91,;8.37,-9.46,;6.87,-9.15,;6.38,-7.69,;7.41,-6.53,;8.92,-6.85,;9.95,-5.7,;9.4,-8.31,;10.32,-11.38,;8.4,-14.88,;7.03,-15.58,;7.73,-16.95,;7.26,-18.42,;8.3,-19.56,;9.1,-16.25,)|

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

BDBM50121980

O=C(Nc1cccc(c1)-c1cncc2ccccc12)c1ccccc1NCc1ccncc1

BDBM50358289

O=c1[nH]ccc2c(Cc3nnc4ccc(nn34)-c3ccccc3)cccc12

BDBM50092082

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