GAK

Reference Set (75 Compounds)

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

ZINC000003781738 (search)

CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)N[C@H]4O ZINC000101364035

ZINC000101364035 (search)

COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C ZINC000066066276

ZINC000066066276 (search)

Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC3CCOCC3)nc21 ZINC000058633224

ZINC000058633224 (search)

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

ZINC000019862646 (search)

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

ZINC000022448983 (search)

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

ZINC000055760827 (search)

CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 ZINC000002047743

ZINC000002047743 (search)

COc1cc(-c2cnc3c(N4CCOCC4)snc3c2)cc(OC)c1OC ZINC000222110445

ZINC000222110445 (search)

COc1cc(-c2cnc3c(N4CCOCC4)snc3c2)ccc1N ZINC000223272034

ZINC000223272034 (search)

COc1cc(-c2cnc3c(N4CCOCC4)snc3c2)ccc1OC(C)=O ZINC000223271871

ZINC000223271871 (search)

COc1cc(-c2cnc3c(N4CCOCC4)snc3c2)ccc1O ZINC000299851826

ZINC000299851826 (search)

COc1ccc(-c2cnc3c(NCC4CC4)snc3c2)cc1OC ZINC000223116308

ZINC000223116308 (search)

c1cc(-c2cnc3c(N4CCOCC4)snc3c2)cs1 ZINC000223235901

ZINC000223235901 (search)

c1csc(-c2cnc3c(N4CCOCC4)snc3c2)c1 ZINC000223260484

ZINC000223260484 (search)

COc1ccc(-c2cnc3c(N4CCOCC4)snc3c2)cc1OC ZINC000223235832

ZINC000223235832 (search)

COc1ccc(-c2cnc3c(N4CCC(O)CC4)snc3c2)cc1OC ZINC000223088109

ZINC000223088109 (search)

COc1cc(OC)cc(-c2cnc3c(N4CCOCC4)snc3c2)c1 ZINC000223271953

ZINC000223271953 (search)

CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 ZINC000003976838

ZINC000003976838 (search)

COc1ccc(-c2cnc3c(NC4CCOCC4)snc3c2)cc1OC ZINC000223102784

ZINC000223102784 (search)

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

ZINC000043207851 (search)

COc1ccc(-c2cnc3c(N4CCCC4)snc3c2)cc1OC ZINC000223103115

ZINC000223103115 (search)

C[S@@+]([O-])c1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1 ZINC000003815700

ZINC000003815700 (search)

COc1ccc(-c2cnc3c(N4C[C@H](C)O[C@H](C)C4)snc3c2)cc1OC ZINC000223116980

ZINC000223116980 (search)

COc1ccc(-c2cnc3c(NCCO)snc3c2)cc1OC ZINC000299852611

ZINC000299852611 (search)

COc1ccc(OC)c(-c2cnc3c(N4CCOCC4)snc3c2)c1 ZINC000223271633

ZINC000223271633 (search)

COCCNc1snc2cc(-c3ccc(OC)c(OC)c3)cnc12 ZINC000223116228

ZINC000223116228 (search)

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

ZINC000013986815 (search)

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

ZINC000016052569 (search)

COc1ccc(-c2cnc3c(N(C)C)snc3c2)cc1OC ZINC000223116390

ZINC000223116390 (search)

c1cc(-c2cnc3c(N4CCOCC4)snc3c2)co1 ZINC000223285851

ZINC000223285851 (search)

COc1ccc(-c2cnc3c(N4CCSCC4)snc3c2)cc1OC ZINC000223286266

ZINC000223286266 (search)

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C ZINC000003916214

ZINC000003916214 (search)

COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC ZINC000006745792

ZINC000006745792 (search)

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

ZINC000043201999 (search)

COc1ccc(-c2cnc3c(N4CCCCC4)snc3c2)cc1OC ZINC000223286191

ZINC000223286191 (search)

CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3c(cc2OC)CCN3C(=O)CN(C)C)nc2[nH]ccc12 ZINC000043202844

ZINC000043202844 (search)

OCCNc1snc2cc(-c3ccsc3)cnc12 ZINC000299852927

ZINC000299852927 (search)

COc1ccc(-c2cnc3c(N(CCO)CCO)snc3c2)cc1OC ZINC000223102873

ZINC000223102873 (search)

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

ZINC000036056301 (search)

NC(=O)c1ccc(Nc2cc(-c3ccc(F)cc3)[nH]n2)cc1 ZINC000040380415

ZINC000040380415 (search)

C=CC(=O)Nc1cccc(-n2c(=O)cc(C)c3cnc(Nc4ccc(OCCN(C)C)cc4OC)nc32)c1 ZINC000221258890

ZINC000221258890 (search)

c1ccc(-c2cnc3c(N4CCOCC4)snc3c2)cc1 ZINC000223235595

ZINC000223235595 (search)

CN(C)CC(=O)N1CCC(c2ccc(NC(=O)c3nc(C#N)c[nH]3)c(C3=CCCCC3)c2)CC1 ZINC000038226716

ZINC000038226716 (search)

Cc1[nH]c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000003938668

ZINC000003938668 (search)

Nc1nc(N)c2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2n1 ZINC000006718666

ZINC000006718666 (search)

COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)N[C@H](C)c1nccs1 ZINC000003819294

ZINC000003819294 (search)

COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1 ZINC000003948085

ZINC000003948085 (search)

CCc1nc2sc(C)c(C)c2c(=O)n1N ZINC000000126510

ZINC000000126510 (search)

Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1 ZINC000006718813

ZINC000006718813 (search)

CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 ZINC000003816287

ZINC000003816287 (search)

CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1 ZINC000016052714

ZINC000016052714 (search)

COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCN1CCCCC1 ZINC000003966243

ZINC000003966243 (search)

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

ZINC000000602803 (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)

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

ZINC000019632614 (search)

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

ZINC000003814434 (search)

CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C ZINC000003964325

ZINC000003964325 (search)

Oc1c2ccccc2c2c3c(cccc13)N=N2 ZINC000100706870

ZINC000100706870 (search)

Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000018825344

ZINC000018825344 (search)

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

ZINC000027439698 (search)

Oc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 ZINC000089221712

ZINC000089221712 (search)

COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1 ZINC000053683345

ZINC000053683345 (search)

Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O ZINC000011617039

ZINC000011617039 (search)

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

ZINC000021288966 (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)

CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1 ZINC000003816310

ZINC000003816310 (search)

Nc1c(C(=O)c2cccc(OC[C@@H](O)CO)c2)cnn1-c1ccc(F)cc1 ZINC000013683106

ZINC000013683106 (search)

Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000019632618

ZINC000019632618 (search)

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

ZINC000003812168 (search)

CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 ZINC000023247639

ZINC000023247639 (search)

CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1 ZINC000003816409

ZINC000003816409 (search)

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

ZINC000003938688 (search)

Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)[nH]n1 ZINC000003820040

ZINC000003820040 (search)