DMPK

Reference Set (25 Compounds)

C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O ZINC000003781738

ZINC000003781738 (search)

O=C(NCc1cccc(O)c1)Nc1nc(-c2ccncc2)cs1 ZINC000072317687

ZINC000072317687 (search)

COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl ZINC000022448983

ZINC000022448983 (search)

Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4ccccc4)c3)cc12 ZINC000016052569

ZINC000016052569 (search)

CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc21 ZINC000036056301

ZINC000036056301 (search)

COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(S(C)(=O)=O)CC2)nc1N ZINC000013983251

ZINC000013983251 (search)

Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 ZINC000019862646

ZINC000019862646 (search)

O=C(NC1CCNCC1)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl ZINC000016052857

ZINC000016052857 (search)

C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12 ZINC000003818808

ZINC000003818808 (search)

C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000035902489

ZINC000035902489 (search)

COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 ZINC000055760827

ZINC000055760827 (search)

Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21 ZINC000001494900

ZINC000001494900 (search)

CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1 ZINC000013986815

ZINC000013986815 (search)

N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1 ZINC000043207851

ZINC000043207851 (search)

O=C(c1ccc(/C=C/c2n[nH]c3ccccc23)cc1)N1CCNCC1 ZINC000043201999

ZINC000043201999 (search)

C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1 ZINC000027439698

ZINC000027439698 (search)

CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 ZINC000003814434

ZINC000003814434 (search)

CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C ZINC000000602803

ZINC000000602803 (search)

CN(C)C[C@@H]1CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCO1 ZINC000003812168

ZINC000003812168 (search)

CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1 ZINC000021288966

ZINC000021288966 (search)

Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F ZINC000003938688

ZINC000003938688 (search)

Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1 ZINC000003986735

ZINC000003986735 (search)

C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1 ZINC000001546066

ZINC000001546066 (search)

CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 ZINC000100013130

ZINC000100013130 (search)

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 ZINC000019632614

ZINC000019632614 (search)