274 SMILES Strings for Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) 344D]

Compound Name
SMILES String
COc1nccc2oc(cc12)-c1cnc2ccc(OC[C@H]3CNCCO3)nn12 |r|
COc1nccc2oc(cc12)-c1cnc2ccc(OCC3CNC3)nn12
CN[C@H](C)COc1ccc2ncc(-c3cc4c(OC)nccc4o3)n2n1 |r|
C(Oc1ccc2ncc(-c3cc4cnccc4o3)n2n1)[C@H]1CNCCO1 |r|
C(Oc1ccc2ncc(-c3cc4ncccc4o3)n2n1)[C@H]1CNCCO1 |r|
C(C[C@@H]1CCCN1)Oc1ccc2ncc(-c3cc4cnccc4o3)n2n1 |r|
COc1nccc2oc(cc12)-c1cnc2ccc(O[C@@H](CNC3CC3)c3ccc(F)cc3)nn12 |r|
COc1nccc2oc(cc12)-c1cnc2ccc(OCC3CCCCN3)nn12
COc1cccc2oc(cc12)-c1cnc2ccc(OCCCSC)nn12
CSCCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1
CSCCCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1
CSCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1
COc1cccc2oc(cc12)-c1cnc2ccc(OCCCS(C)=O)nn12 |w:22.24|
CS(=O)CCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |w:1.0|
CS(=O)CCCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |w:1.0|
CS(=O)CCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |w:1.0|
CS(=O)(=O)CCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1
COc1ccc2oc(cc2c1)-c1cnc2ccc(OCCCS(C)(=O)=O)nn12
COc1cccc2oc(cc12)-c1cnc2ccc(OCCCS(C)(=O)=O)nn12
CS(=O)(=O)CCCOc1ccc2ncc(-c3cc4cc(F)ccc4o3)n2n1
CS(=O)(=O)CCCOc1ccc2ncc(-c3cc4cc(Cl)ccc4o3)n2n1
CS(=O)(=O)CCCOc1ccc2ncc(-c3cc4cccc(F)c4o3)n2n1
Cc1c(oc2ccccc12)-c1cnc2ccc(OCCCS(C)(=O)=O)nn12
Cc1cccc2cc(oc12)-c1cnc2ccc(OCCCS(C)(=O)=O)nn12
CS(=O)(=O)CCCOc1ccc2ncc(-c3cc4c(F)cccc4o3)n2n1
Cc1cc2ncc(-c3cc4ccccc4o3)n2nc1OCCCS(C)(=O)=O
CS(=O)(=O)CCCOc1nn2c(cnc2cc1-c1ccccc1)-c1cc2ccccc2o1
COc1nccc2oc(cc12)-c1cnc2ccc(OCCCS(C)(=O)=O)nn12
CS(=O)(=O)CCCOc1ccc2ncc(-c3cc4cnccc4o3)n2n1
CS(=O)(=O)CCCOc1ccc2ncc(-c3cc4ncccc4o3)n2n1
COc1cccc2oc(cc12)-c1cnc2ccc(OCCCS(C)(=O)=NC(=O)C(F)(F)F)nn12 |w:22.24|
COc1cccc2oc(cc12)-c1cnc2ccc(OCCCS(C)(=N)=O)nn12 |w:22.24|
CS(=O)(CCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1)=NC(=O)C(F)(F)F |w:1.0|
CS(=N)(=O)CCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |w:1.0|
CS(=O)(CCCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1)=NC(=O)C(F)(F)F |w:1.0|
CS(=N)(=O)CCCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |w:1.0|
CS(=O)(CCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1)=NC(=O)C(F)(F)F |w:1.0|
CS(=O)(CCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1)=NC#N |w:1.0,25.29|
COc1nccc2oc(cc12)-c1cnc2ccc(OCCCS(C)(=O)=NC#N)nn12 |w:22.24,25.27|
COc1nccc2oc(cc12)-c1cnc2ccc(OCCCS(C)(=N)=O)nn12 |w:22.24|
O=c1[nH]c2ccc(Nc3ncnc4sc(CC5CC5)nc34)cc2s1
O=c1[nH]c2ccc(Nc3ncnc4sc(nc34)C3CCC3)cc2s1
O=c1[nH]c2ccc(Nc3ncnc4sc(nc34)C3CCCCC3)cc2s1
COc1cc2[nH]ncc2cc1Nc1ncnc2sc(Cc3ccccc3)nc12
COCc1nc2c(Nc3cc4cn[nH]c4cc3OC)ncnc2s1
COc1cc2[nH]c(=O)sc2cc1Nc1ncnc2sc(nc12)C1CCCCC1
C1CCC(CC1)c1nc2c(Nc3ccc4[nH]ncc4c3)ncnc2s1
C(C1CC1)c1nc2c(Nc3ccc4[nH]ncc4c3)ncnc2s1
C1CC(C1)c1nc2c(Nc3ccc4[nH]ncc4c3)ncnc2s1
C(c1nc2c(Nc3ccc4[nH]ncc4c3)ncnc2s1)c1ccccc1
CC1(O)CN(C1)C(=O)CCCc1nc2c(Nc3ccc4[nH]ncc4c3)ncnc2s1
CN(C)C(=O)CCCc1nc2c(Nc3ccc4[nH]ncc4c3)ncnc2s1
CC1(O)CN(C1)C(=O)CCc1nc2c(Nc3ccc4[nH]ncc4c3)ncnc2s1
COc1cc2[nH]ncc2cc1Nc1ncnc2scnc12
N(c1ccc2[nH]ncc2c1)c1ncnc2scnc12
CC(C)Oc1cc2[nH]ncc2cc1Nc1ncnc2sc(CCc3ccccc3)nc12
COc1cc2[nH]c(=O)sc2cc1Nc1ncnc2scnc12
O=c1[nH]c2ccc(Nc3ncnc4scnc34)cc2s1
COc1cc2[nH]ncc2cc1Nc1ncnc2sc(COCc3ccccc3)nc12
CN(C)C(=O)CCc1nc2c(Nc3ccc4[nH]ncc4c3)ncnc2s1
COc1cc2[nH]ncc2cc1Nc1ncnc2sc(CCc3ccccc3)nc12
C(Cc1ccccc1)c1nc2c(Nc3ccc4[nH]ncc4c3)ncnc2s1
COc1cc2[nH]c(=O)sc2cc1Nc1ncnc2sc(CCc3ccccc3)nc12
COc1cc2[nH]ncc2cc1Nc1ncnc2sc(CCCC(=O)N(C)C)nc12
CN(C)C(=O)c1nc2c(Nc3ccc4[nH]c(=O)sc4c3)ncnc2s1
COc1cc2[nH]c(=O)sc2cc1Nc1ncnc2sc(nc12)C(=O)N(C)C
COc1cc2[nH]ncc2cc1Nc1ncnc2sc(nc12)C(=O)N(C)C
CCOc1cc2[nH]ncc2cc1Nc1ncnc2sc(nc12)C(=O)N(C)C
O=C(N1CCCCC1)c1nc2c(Nc3ccc4[nH]ncc4c3)ncnc2s1
O=C(N1CCCCC1)c1nc2c(Nc3ccc4[nH]c(=O)sc4c3)ncnc2s1
COc1cc2[nH]ncc2cc1Nc1ncnc2sc(nc12)C(=O)N1CCCCC1
CCOc1cc2[nH]ncc2cc1Nc1ncnc2sc(nc12)C(=O)N1CCCCC1
CC(C)Oc1cc2[nH]ncc2cc1Nc1ncnc2sc(nc12)C(=O)N1CCCCC1
CN(C)C(=O)CN(C)C(=O)c1nc2c(Nc3ccc4[nH]ncc4c3)ncnc2s1
CN(C)C(=O)CN(C)C(=O)c1nc2c(Nc3ccc4[nH]c(=O)sc4c3)ncnc2s1
COc1cc2[nH]ncc2cc1Nc1ncnc2sc(nc12)C(=O)N(C)CC(=O)N(C)C
CC(C)Oc1cc2[nH]ncc2cc1Nc1ncnc2sc(nc12)C(=O)N(C)CC(=O)N(C)C
CN(C)C(=O)CCN(C)C(=O)c1nc2c(Nc3ccc4[nH]ncc4c3)ncnc2s1
CN(C)C(=O)CCN(C)C(=O)c1nc2c(Nc3ccc4[nH]c(=O)sc4c3)ncnc2s1
CCOc1cc2[nH]ncc2cc1Nc1ncnc2sc(nc12)C(=O)N(C)CCC(=O)N(C)C
CN(C)C(=O)c1nc2c(Nc3ccc4[nH]ncc4c3)ncnc2s1
CC(C)Oc1cc2[nH]ncc2cc1Nc1ncnc2sc(nc12)C(=O)N(C)C
CCOc1cc2[nH]ncc2cc1Nc1ncnc2sc(nc12)C(=O)N(C)CC(=O)N(C)C
COc1cc2[nH]ncc2cc1Nc1ncnc2sc(nc12)C(=O)N(C)CCC(=O)N(C)C
CC(C)Oc1cc2[nH]ncc2cc1Nc1ncnc2sc(nc12)C(=O)N(C)CCC(=O)N(C)C
O=C(Cc1ccccc1)Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1
OC(C(=O)Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1)c1ccccc1 |w:1.0|
OC(C(=O)Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1)c1cccnc1 |w:1.0|
OC(C1CCCCC1)C(=O)Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |w:1.0|
OC(C1CCOCC1)C(=O)Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |w:1.0|
O=C(Cc1ccccn1)Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1
O=C(Cc1cccnc1)Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1
Fc1cccc(CC(=O)Nc2ccc3ncc(-c4cc5ccccc5o4)n3n2)c1
O=C(CCc1cccnc1)Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1
O=C(Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1)c1cc(=O)[nH]c(=O)[nH]1
OC[C@@H]1CCC(=O)N1c1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r|
OC(C1CC1)C(=O)Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |w:0.0|
C[C@@H](O)C(=O)Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r|
C[C@H](O)C(=O)Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r|
COc1nccc2oc(cc12)-c1cnc2ccc(NC(=O)[C@@H](C)O)nn12 |r|
COc1nccc2oc(cc12)-c1cnc2ccc(NC(=O)[C@H](C)O)nn12 |r|
CC(C)CC(=O)Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1
O=C(Cc1ccc(cc1)C#N)Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1
O=C(CCc1c[nH]cn1)Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1
Cn1cc(CCC(=O)Nc2ccc3ncc(-c4cc5ccccc5o4)n3n2)cn1
O=C(Cc1cccc(c1)C#N)Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1
O=C(CCC1CC1)Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1
CCN(CC)CCC(=O)Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1
O=C(Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1)C1(CC1)C#N
FC(F)(F)c1ccccc1CC(=O)Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1
O=C(CC#N)Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1
O=C(Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1)C1CCOCC1
CN(C)CC(=O)Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1
Fc1ccc(CCC(=O)Nc2ccc3ncc(-c4cc5ccccc5o4)n3n2)cc1
O=C(CN1CCCC1)Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1
Cc1cccc(CCC(=O)Nc2ccc3ncc(-c4cc5ccccc5o4)n3n2)c1
CC1CCN(CC(=O)Nc2ccc3ncc(-c4cc5ccccc5o4)n3n2)CC1
C(CC1CNCCO1)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1
C(Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1)C1CNCCO1
CC(C)(C)CNCCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1
C(COc1ccc2ncc(-c3cc4ccccc4o3)n2n1)NCC1CC1
C(C[C@@H]1COCCN1)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r|
CC(C)NCCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1
CC(C)NCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1
C(Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1)[C@@H]1CNCCO1 |r|
CC(C)(C)CNCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1
C(C[C@H]1COCCN1)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r|
C(C[C@@H]1CCCN1)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r|
C(Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1)C1CCCCN1 |w:20.23|
C(COc1ccc2ncc(-c3cc4ccccc4o3)n2n1)NC1CC1
CC(C)(C)NCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1
CC(C)NCC(C)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |w:5.5|
C(Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1)C1CCCN1
C1CNCC(C1)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |w:6.6|
Clc1ccc2oc(cc2c1)-c1cnc2ccc(OCC[C@@H]3CCCN3)nn12 |r|
CC(C)NCC(Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1)c1ccccc1 |w:6.5|
CC(C)CNCC(Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1)c1ccccc1 |w:6.29|
CNCC(Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1)c1ccccc1
CC(C)(C)CNCC(Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1)c1ccccc1 |w:8.7|
C1C[C@H](CN1)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r|
C1CNC[C@@H](C1)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r|
Fc1cccc2oc(cc12)-c1cnc2ccc(OC[C@H]3CNCCO3)nn12 |r|
Fc1ccc2oc(cc2c1)-c1cnc2ccc(OC[C@H]3CNCCO3)nn12 |r|
COc1cccc2oc(cc12)-c1cnc2ccc(OCC3CNCCO3)nn12
COc1ccc2oc(cc2c1)-c1cnc2ccc(OC[C@H]3CNCCO3)nn12 |r|
C(Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1)[C@H]1CNCCO1 |r|
C(Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1)C1CNC1
Clc1ccc2oc(cc2c1)-c1cnc2ccc(OC[C@H]3CNCCO3)nn12 |r|
CNC(C)COc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |w:2.2|
CNCC(C)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |w:3.3|
CN(C)C(=O)C1CCc2c(C1)sc1ncnc(Nc3ccn4nccc4c3)c21 |w:5.4|
CCOC(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3ccn4nccc4c3)c21 |r|
C[C@@H]1COCCN1C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3ccn4nccc4c3)c21 |r|
CN(C)CCN(C)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3ccn4nccc4c3)c21 |r|
C[C@H]1CN(C[C@@H](C)O1)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3ccn4nccc4c3)c21 |r|
CN(C)[C@@H]1CCN(C1)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3ccn4nccc4c3)c21 |r|
C[C@H]1COCCN1C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3ccn4nccc4c3)c21 |r|
COCCN(C)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3ccn4nccc4c3)c21 |r|
C[C@H]1CN(C[C@H](C)O1)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3ccn4nccc4c3)c21 |r|
C[C@@H]1CN(C[C@@H](C)O1)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3ccn4nccc4c3)c21 |r|
O=C([C@H]1CCc2c(C1)sc1ncnc(Nc3ccn4nccc4c3)c21)N1CCOCC1 |r|
O=C([C@H]1CCc2c(C1)sc1ncnc(Nc3ccn4nccc4c3)c21)N1CC2CC2C1 |r|
C[C@H]1COC[C@@H](C)N1C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3ccn4nccc4c3)c21 |r|
C[C@@H]1COC[C@@H](C)N1C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3ccn4nccc4c3)c21 |r|
COc1cn2nccc2cc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)N(C)C |r|
CC(C)N(C)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3ccn4nccc4c3)c21 |r|
CN(C)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3ccn4nccc4c3)c21 |r|
CN(CC(F)F)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3ccn4nccc4c3)c21 |r|
CN(CC(C)(C)O)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3ccn4nccc4c3)c21 |r|
O=C([C@H]1CCc2c(C1)sc1ncnc(Nc3ccn4nccc4c3)c21)N1CCC1 |r|
CCN(CCO)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3ccn4nccc4c3)c21 |r|
O=C([C@H]1CCc2c(C1)sc1ncnc(Nc3ccn4nccc4c3)c21)N1CC(C1)C#N |r|
FC1(F)CN(C1)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3ccn4nccc4c3)c21 |r|
OC1CN(C1)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3ccn4nccc4c3)c21 |r|
CN(CCNC(=O)OC(C)(C)C)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3ccn4nccc4c3)c21 |r|
CN(C)C(=O)CN(C)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3ccn4nccc4c3)c21 |r|
CN(C)CCCN(C)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3ccn4nccc4c3)c21 |r|
CN(C)C1CN(C1)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3ccn4nccc4c3)c21 |r|
CN1CCN(CC1)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3ccn4nccc4c3)c21 |r|
CC1(O)CN(C1)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3ccn4nccc4c3)c21 |r|
CN(C)CCN1CCN(CC1)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3ccn4nccc4c3)c21 |r|
CN(C)C1CCN(CC1)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3ccn4nccc4c3)c21 |r|
O=C([C@H]1CCc2c(C1)sc1ncnc(Nc3ccn4nccc4c3)c21)N1CCC(=O)CC1 |r|
FC1(F)CCN(C1)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3ccn4nccc4c3)c21 |r|
O=C([C@H]1CCc2c(C1)sc1ncnc(Nc3ccn4nccc4c3)c21)N1CC2(COC2)C1 |r|
O=C([C@H]1CCc2c(C1)sc1ncnc(Nc3ccn4nccc4c3)c21)N1C[C@@H]2C[C@H]1CO2 |r,TLB:1:25:28:30.31|
O=C([C@H]1CCc2c(C1)sc1ncnc(Nc3ccn4nccc4c3)c21)N1C[C@H]2C[C@@H]1CO2 |r,THB:1:25:28:31.30|
CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3ccn4nccc4c3)c21 |r,THB:0:1:6.7:4,8:7:4:2.1|
CN(C)CCN(C)C1CCN(CC1)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3ccn4nccc4c3)c21 |r|
CN(C)[C@H]1CCN(C1)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3ccn4nccc4c3)c21 |r|
CN1C[C@H]2C[C@@H]1CN2C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3ccn4nccc4c3)c21 |r,TLB:0:1:7.6:4,8:7:4:1.2|
FC(F)(F)CCNC(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3cc4ccnn4cc3Cl)c21 |r|
CC(C)NC(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3cc4ccnn4cc3Cl)c21 |r|
CN(C)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3cc4ccnn4cc3Cl)c21 |r|
CCN(C)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3cc4ccnn4cc3Cl)c21 |r|
CN(CC(F)F)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3cc4ccnn4cc3Cl)c21 |r|
CN(CCC(F)(F)F)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3cc4ccnn4cc3Cl)c21 |r|
CCCCN(C)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3cc4ccnn4cc3Cl)c21 |r|
Clc1cn2nccc2cc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)N1CC(C1)C#N |r|
CN(C)CCCN(C)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3cc4ccnn4cc3Cl)c21 |r|
CC1(O)CN(C1)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3cc4ccnn4cc3Cl)c21 |r|
CN(C)CCN(C)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3cc4ccnn4cc3Cl)c21 |r|
CN(C)C1CN(C1)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3cc4ccnn4cc3Cl)c21 |r|
CN(CCO)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3cc4ccnn4cc3Cl)c21 |r|
COCCN(C)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3cc4ccnn4cc3Cl)c21 |r|
CC(C)N(C)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3cc4ccnn4cc3Cl)c21 |r|
CN(C)[C@@H]1CCN(C1)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3cc4ccnn4cc3Cl)c21 |r|
CN(C)[C@H]1CCN(C1)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3cc4ccnn4cc3Cl)c21 |r|
O[C@H]1CN(C[C@@H]1O)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3cc4ccnn4cc3Cl)c21 |r|
CN(C)C1CCN(CC1)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3cc4ccnn4cc3Cl)c21 |r|
CN(C)CCCN(CCO)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3cc4ccnn4cc3Cl)c21 |r|
C[C@H]1CN(C[C@@H](C)O1)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3cc4ccnn4cc3Cl)c21 |r|
CN1CCN(CC1)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3cc4ccnn4cc3Cl)c21 |r|
CN(C)CCN1CCN(CC1)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3cc4ccnn4cc3Cl)c21 |r|
CCN(CCN(C)C)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3cc4ccnn4cc3Cl)c21 |r|
Clc1cn2nccc2cc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)N1CCOCC1 |r|
CCN(CCO)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3cc4ccnn4cc3Cl)c21 |r|
CCN(CCOC)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3cc4ccnn4cc3Cl)c21 |r|
COCCN(CCOC)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3cc4ccnn4cc3Cl)c21 |r|
CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3cc4ccnn4cc3Cl)c21 |r|
CN1C[C@H]2C[C@@H]1CN2C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3cc4ccnn4cc3Cl)c21 |r,TLB:0:1:7.6:4,8:7:2.1:4|
Clc1cn2nccc2cc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)N1C[C@@H]2C[C@H]1CO2 |r|
Clc1cn2nccc2cc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)N1C[C@H]2C[C@@H]1CO2 |r,THB:24:26:31.32:29|
C[C@H]1COCCN1C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3cc4ccnn4cc3Cl)c21 |r|
C[C@@H]1COCCN1C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3cc4ccnn4cc3Cl)c21 |r|
CNC(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3cc4ccnn4cc3OC)c21 |r|
COc1cn2nccc2nc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)NCC(F)F |r|
COc1cn2nccc2nc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)NCCC(F)(F)F |r|
COc1cn2nccc2nc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)NCC(C)(C)O |r|
COc1cn2nccc2nc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)NCCN(C)C |r|
COc1cn2nccc2nc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)NCCO |r|
COCCNC(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3nc4ccnn4cc3OC)c21 |r|
COc1cn2nccc2nc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)NC(C)C |r|
COc1cn2nccc2nc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)NC(C)(C)C |r|
COc1cn2nccc2nc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)NC1(C)CCC1 |r|
COc1cn2nccc2nc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)Nc1ccc(F)cc1 |r|
COc1cn2nccc2nc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)Nc1cccc(Cl)c1 |r|
COc1cn2nccc2nc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)Nc1ccc(Cl)c(Cl)c1 |r|
COc1cn2nccc2cc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)Nc1ccc(F)c(Cl)c1 |r|
COc1cn2nccc2cc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)Nc1cccc(F)c1 |r|
COc1cn2nccc2cc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)Nc1ccc2[nH]ccc2c1 |r|
CCN(C)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3cc4ccnn4cc3OC)c21 |r|
COc1cn2nccc2cc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)N(C)CC(F)F |r|
COc1cn2nccc2cc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)N(C)CCC(F)(F)F |r|
CCCCN(C)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3cc4ccnn4cc3OC)c21 |r|
COc1cn2nccc2cc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)N1CC(C1)C#N |r|
COc1cn2nccc2cc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)N(C)CCCN(C)C |r|
COc1cn2nccc2cc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)N1CC(C)(O)C1 |r|
COc1cn2nccc2cc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)N(C)CCN(C)C |r|
COc1cn2nccc2cc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)N1CC(C1)N(C)C |r|
COc1cn2nccc2cc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)N(C)CCO |r|
COCCN(C)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3cc4ccnn4cc3OC)c21 |r|
COc1cn2nccc2cc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)N(C)C(C)C |r|
COc1cn2nccc2cc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)N1CC[C@H](C1)N(C)C |r|
COc1cn2nccc2cc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)N1CC[C@@H](C1)N(C)C |r|
COc1cn2nccc2cc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)N1C[C@H](O)[C@@H](O)C1 |r|
COc1cn2nccc2cc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)N1CCC(CC1)N(C)C |r|
COc1cn2nccc2cc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)N1CCC(CC1)N(C)CCN(C)C |r|
COc1cn2nccc2cc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)N(CCO)CCCN(C)C |r|
COc1cn2nccc2cc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)N1C[C@H](C)O[C@H](C)C1 |r|
COc1cn2nccc2cc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)N1CCN(C)CC1 |r|
COc1cn2nccc2cc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)N1CCN(CCN(C)C)CC1 |r|
CCN(CCN(C)C)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3cc4ccnn4cc3OC)c21 |r|
COc1cn2nccc2cc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)N1CCOCC1 |r|
CCN(CCO)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3cc4ccnn4cc3OC)c21 |r|
CCN(CCOC)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3cc4ccnn4cc3OC)c21 |r|
COCCN(CCOC)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3cc4ccnn4cc3OC)c21 |r|
COc1cn2nccc2cc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)N(C)C(C)(C)C |r|
COc1cn2nccc2cc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)N1C[C@@H]2C[C@H]1CN2C |r,TLB:34:33:28.27:30,25:27:33.32:30|
COc1cn2nccc2cc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)N1C[C@H]2C[C@@H]1CN2C |r,THB:34:33:27.28:30,25:27:32.33:30|
COc1cn2nccc2cc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)N1C[C@@H]2C[C@H]1CO2 |r|
COc1cn2nccc2cc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)N1C[C@H]2C[C@@H]1CO2 |r,THB:25:27:32.33:30|
COc1cn2nccc2cc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)N1CCOC[C@@H]1C |r|
COc1cn2nccc2cc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)N1CCOC[C@H]1C |r|