ATR

Reference Set (105 Compounds)

Cn1c(=O)n(C2CC2)c2c3cc(-c4cnc5[nH]ccc5c4)ccc3ncc21 ZINC001772570285

ZINC001772570285 (search)

COc1ccc(-c2ccc3ncc4c(c3c2)n(C2CCN(C(C)=O)CC2)c(=O)n4C)cn1 ZINC000203415543

ZINC000203415543 (search)

COC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(OC)nc5)cc4c32)CC1 ZINC000203415535

ZINC000203415535 (search)

Cn1c(=O)n(C2CC2)c2c3cc(-c4cnc(N)nc4)ccc3ncc21 ZINC001772579770

ZINC001772579770 (search)

COc1ccc(-c2ccc3ncc4c(c3c2)n(C2CCNCC2)c(=O)n4C)cn1 ZINC000203414310

ZINC000203414310 (search)

Cn1c(=O)n(C2CCOCC2)c2c3cc(-c4cnn(CCCO)c4)ccc3ncc21 ZINC001772571442

ZINC001772571442 (search)

CNCCCOc1ccc(-c2ccc3ncc4c(c3c2)n([C@H]2C[C@@H](OC)C2)c(=O)n4C)cn1 ZINC001772593143

ZINC001772593143 (search)

CN(C)CCCOc1ccc(-c2ccc3ncc4c(c3c2)n(C2CCOCC2)c(=O)n4C)cn1 ZINC000498035578

ZINC000498035578 (search)

CN(C)CCCOc1ccc(-c2ccc3ncc4c(c3c2)n([C@H]2CCOC2)c(=O)n4C)cn1 ZINC001772581772

ZINC001772581772 (search)

C[C@@H](CN(C)C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 ZINC000071297123

ZINC000071297123 (search)

CC(C)(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 ZINC000071330319

ZINC000071330319 (search)

CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 ZINC000071319216

ZINC000071319216 (search)

C[C@@H](CCO)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 ZINC000071329127

ZINC000071329127 (search)

Nc1ncc(-c2ccc(S(=O)(=O)[C@@H]3CCOC3)cc2)nc1C(=O)Nc1ccccc1 ZINC000071315835

ZINC000071315835 (search)

CC[C@@H](C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 ZINC000071330288

ZINC000071330288 (search)

CCS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 ZINC000071277204

ZINC000071277204 (search)

CCCS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 ZINC000071318826

ZINC000071318826 (search)

CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4ccccc4s3)n2)cc1 ZINC000071316169

ZINC000071316169 (search)

CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc4ccccc4[nH]3)n2)cc1 ZINC000071330308

ZINC000071330308 (search)

N#Cc1ccccc1-c1cnc(N)c(C(=O)Nc2ccccc2)n1 ZINC000071316931

ZINC000071316931 (search)

CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 ZINC000068244543

ZINC000068244543 (search)

Nc1ncc(-c2ccc(C(=O)N3CCCCC3)cc2)nc1C(=O)Nc1ccccc1 ZINC000071329874

ZINC000071329874 (search)

CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4ccccc4[nH]3)n2)cc1 ZINC000071329466

ZINC000071329466 (search)

CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4ccccc4o3)n2)cc1 ZINC000071316236

ZINC000071316236 (search)

CN(C)C(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1Cl ZINC000071296341

ZINC000071296341 (search)

CN(C)C(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 ZINC000071296375

ZINC000071296375 (search)

Nc1ncc(-c2ccc(C(=O)N3CCCC3)cc2)nc1C(=O)Nc1ccccc1 ZINC000071318059

ZINC000071318059 (search)

C[S@@+]([O-])c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 ZINC000071329834

ZINC000071329834 (search)

Nc1ncc(-c2ccc(C(=O)N3CCC3)cc2)nc1C(=O)Nc1ccccc1 ZINC000071317285

ZINC000071317285 (search)

NC(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 ZINC000071317318

ZINC000071317318 (search)

C[S@@+]([O-])c1ccccc1-c1cnc(N)c(C(=O)Nc2ccccc2)n1 ZINC000071318445

ZINC000071318445 (search)

N#Cc1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 ZINC000071296762

ZINC000071296762 (search)

Nc1ncc(-c2cccnc2)nc1C(=O)Nc1ccccc1 ZINC000071316593

ZINC000071316593 (search)

CNC(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 ZINC000071316908

ZINC000071316908 (search)

NC(N)=S ZINC000008437745

ZINC000008437745 (search)

O=C(N[C@H](NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)C(Cl)(Cl)Cl)C(c1ccccc1)c1ccccc1 ZINC000016052819

ZINC000016052819 (search)

Nc1ncc(-c2ccc(O)cc2)nc1C(=O)Nc1ccccc1 ZINC000071329488

ZINC000071329488 (search)

CS(=O)(=O)c1cccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)c1 ZINC000071317225

ZINC000071317225 (search)

N#Cc1cccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)c1 ZINC000071317641

ZINC000071317641 (search)

Nc1ncc(-c2cccc(O)c2)nc1C(=O)Nc1ccccc1 ZINC000071316876

ZINC000071316876 (search)

Cc1cccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)c1 ZINC000071316218

ZINC000071316218 (search)

Nc1ncc(-c2ccccc2)nc1C(=O)Nc1ccccc1 ZINC000071315847

ZINC000071315847 (search)

Nc1ncc(-c2ccncc2)nc1C(=O)Nc1ccccc1 ZINC000071316631

ZINC000071316631 (search)

Nc1ncc(-c2ccccc2Cl)nc1C(=O)Nc1ccccc1 ZINC000071317640

ZINC000071317640 (search)

COc1ccccc1-c1cnc(N)c(C(=O)Nc2ccccc2)n1 ZINC000071316599

ZINC000071316599 (search)

CS(=O)(=O)c1ccccc1-c1cnc(N)c(C(=O)Nc2ccccc2)n1 ZINC000071316274

ZINC000071316274 (search)

Cc1ccccc1-c1cnc(N)c(C(=O)Nc2ccccc2)n1 ZINC000071329817

ZINC000071329817 (search)

COc1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 ZINC000071317674

ZINC000071317674 (search)

Nc1ncc(-c2cccc(Cl)c2)nc1C(=O)Nc1ccccc1 ZINC000071296769

ZINC000071296769 (search)

Cc1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 ZINC000071296782

ZINC000071296782 (search)

Nc1ncc(C2=CCCCC2)nc1C(=O)Nc1ccccc1 ZINC000071316531

ZINC000071316531 (search)

COc1cccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)c1 ZINC000071329084

ZINC000071329084 (search)

Nc1ncc(-c2ccc(Cl)cc2)nc1C(=O)Nc1ccccc1 ZINC000071318410

ZINC000071318410 (search)

Nc1ncc(-c2ccccc2O)nc1C(=O)Nc1ccccc1 ZINC000071330429

ZINC000071330429 (search)

Nc1ncc(C2CCCCC2)nc1C(=O)Nc1ccccc1 ZINC000071318371

ZINC000071318371 (search)

CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)NC3CCCCC3)n2)cc1 ZINC000071317605

ZINC000071317605 (search)

CNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(C(=O)OC)CC4)c3n2)cc1 ZINC000043068063

ZINC000043068063 (search)

Nc1ncc(Br)nc1C(=O)Nc1ccccc1 ZINC000071329115

ZINC000071329115 (search)

Nc1nccnc1C(=O)Nc1ccccc1 ZINC000014052444

ZINC000014052444 (search)

COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@@H](C)[C@@H](C)C2 ZINC000001531882

ZINC000001531882 (search)

CNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(C(=O)OC(C)C)CC4)c3n2)cc1 ZINC000049784871

ZINC000049784871 (search)

CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc(-c4ccc([C@@H]5COCCN5)cc4)no3)n2)cc1 ZINC000169694044

ZINC000169694044 (search)

C=[S@@](N)(=O)C1(c2cc(N3CCOC[C@H]3C)nc(-n3c(N)nc4ccccc43)n2)CC1 ZINC000169694610

ZINC000169694610 (search)

C[C@H]1COCCN1c1cc(C2([S@@](C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1 ZINC000209603310

ZINC000209603310 (search)

CNc1nc2ccccc2n1-c1nc(N2CCOC[C@H]2C)cc(C2([S@](C)(=N)=O)CC2)n1 ZINC000100630866

ZINC000100630866 (search)

CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3cn(-c4ccccc4)nn3)n2)cc1 ZINC000169706932

ZINC000169706932 (search)

C=[S@@](N)(=O)C(C)(C)c1cc(N2CCOC[C@H]2C)nc(-n2c(NC)nc3ccccc32)n1 ZINC000169694616

ZINC000169694616 (search)

C=[S@@](N)(=O)C1(c2cc(N3CCOC[C@H]3C)nc(-n3c(NC)nc4cc(F)ccc43)n2)CC1 ZINC000169694632

ZINC000169694632 (search)

C=[S@@](N)(=O)C1(c2cc(N3CCOC[C@H]3C)nc(-c3cccc4[nH]ccc34)n2)CC1 ZINC000169694608

ZINC000169694608 (search)

C=[S@@](N)(=O)C1(c2cc(N3CCOC[C@H]3C)nc(-c3cncc4[nH]ccc34)n2)CC1 ZINC000169694614

ZINC000169694614 (search)

C=[S@@](N)(=O)C(C)(C)c1cc(N2CCOC[C@H]2C)nc(-n2c(NC)nc3cc(F)ccc32)n1 ZINC000169694630

ZINC000169694630 (search)

C=[S@@](N)(=O)C1(c2cc(N3CCOC[C@H]3C)nc(-n3c(NC)nc4ccc(F)cc43)n2)CC1 ZINC000169694628

ZINC000169694628 (search)

C[C@@H]1COCCN1c1cc(C=[S@@](C)(N)=O)nc(-c2ccnc3[nH]ccc23)n1 ZINC000169694606

ZINC000169694606 (search)

C=[S@@](N)(=O)C1(c2cc(N3CCOC[C@H]3C)nc(-n3c(NC)nc4ccccc43)n2)CCOCC1 ZINC000169694620

ZINC000169694620 (search)

C=[S@@](N)(=O)C1(c2cc(N3CCOC[C@H]3C)nc(-c3cccc4[nH]ccc34)n2)CCOCC1 ZINC000169694622

ZINC000169694622 (search)

C=[S@@](N)(=O)C(C)(C)c1cc(N2CCOC[C@H]2C)nc(-n2c(NC)nc3c(F)cccc32)n1 ZINC000169694624

ZINC000169694624 (search)

C[C@@H]1COCCN1c1nc(-c2c(F)ncc3[nH]ccc23)cc2c1ncn2C ZINC000299821706

ZINC000299821706 (search)

C[C@@H]1COCCN1c1nc(-c2cncc3[nH]ccc23)cc2c1ncn2[C@@H](C)S(C)(=O)=O ZINC000299823705

ZINC000299823705 (search)

C[C@@H]1Cn2ncc(-c3ccc(S(C)(=O)=O)cc3)c2CN1c1ccnc2[nH]ccc12 ZINC000299824995

ZINC000299824995 (search)

C[C@@H]1COCCN1c1nc(-c2cncc3[nH]ccc23)cc2c1ncn2C ZINC000299825075

ZINC000299825075 (search)

C[C@@H]1Cn2ncc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1cc(Cl)nc2[nH]ccc12 ZINC000299825120

ZINC000299825120 (search)

C[C@@H]1Cn2ncc(-c3ccc(S(=O)(=O)N(C)C)cc3)c2CN1c1ccnc2[nH]ccc12 ZINC000221478513

ZINC000221478513 (search)

C[C@@H]1COCCN1c1nc(-c2nncc3[nH]ccc23)cc2c1ncn2C ZINC000299826062

ZINC000299826062 (search)

CN(C)S(=O)(=O)c1ccc(-c2cnc3ccc(-c4ccnc5[nH]ccc45)nn23)cc1 ZINC000299841402

ZINC000299841402 (search)

C[C@@H]1Cn2ncc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1ccnc2[nH]ccc12 ZINC000299823626

ZINC000299823626 (search)

C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)cc2c1ncn2CS(C)(=O)=O ZINC000299823656

ZINC000299823656 (search)

CN(C)S(=O)(=O)c1ccc(-c2cnn3c2CN(c2ccnc4[nH]ccc24)CC3)cc1 ZINC000299830630

ZINC000299830630 (search)

C[C@@H]1Cn2ncc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1ccnc2[nH]cnc12 ZINC000299840761

ZINC000299840761 (search)

CS(=O)(=O)Cn1cnc2c(N3CCOCC3)nc(-c3cccc4[nH]ccc34)cc21 ZINC000299823616

ZINC000299823616 (search)

C[C@@H]1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1 ZINC000068244750

ZINC000068244750 (search)

C[C@@H]1COCCN1c1nc(-c2cnc(N)nc2)cc2c1ncn2CS(C)(=O)=O ZINC000299818497

ZINC000299818497 (search)

COc1ccc(-c2ccc3ncc(-c4ccc(C(N)=O)cc4)n3n2)cc1OC ZINC000140709561

ZINC000140709561 (search)

c1cc(-c2cc3c(ncn3CC3CC3)c(N3CCOCC3)n2)c2cc[nH]c2c1 ZINC000299821962

ZINC000299821962 (search)

C[C@@H]1Cn2ncc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1ccnc2[nH]ncc12 ZINC000299821116

ZINC000299821116 (search)

CS(=O)(=O)Cn1cnc2c(N3[C@H]4CC[C@H]3COC4)nc(-c3cncc4[nH]ccc34)cc21 ZINC000299826122

ZINC000299826122 (search)

O=C(NC1CC1)c1cn2c(N3CCOCC3)nc(-c3cccc4[nH]ccc34)cc2n1 ZINC000299825007

ZINC000299825007 (search)

C[C@@H]1Cc2ncn(C3CCN(S(C)(=O)=O)CC3)c2CN1c1ccnc2[nH]ccc12 ZINC000299826182

ZINC000299826182 (search)

C[C@@H]1Cn2ncc(C3CCN(S(C)(=O)=O)CC3)c2C(=O)N1c1ccnc2[nH]ccc12 ZINC000299818489

ZINC000299818489 (search)

C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)cc2nccn12 ZINC000299821795

ZINC000299821795 (search)

c1cc(-c2cc3nccn3c(N3CCOCC3)n2)c2cc[nH]c2c1 ZINC000299823544

ZINC000299823544 (search)

CS(=O)(=O)Cn1cnc2c(N3[C@H]4CC[C@H]3COC4)nc(-c3cnc(N)nc3)cc21 ZINC000299826407

ZINC000299826407 (search)

C[C@@H]1Cn2ncc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1ccnc(N)c1 ZINC000299820185

ZINC000299820185 (search)

C[C@@H]1[C@@H](C)n2ncc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1ccnc2[nH]ccc12 ZINC000299821097

ZINC000299821097 (search)

CC1(C)Cn2ncc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1cc(Cl)nc2[nH]ccc12 ZINC000299822834

ZINC000299822834 (search)

Nc1nc(N)c(N=O)c(OCC2CCCCC2)n1 ZINC000003814479

ZINC000003814479 (search)