Rank |
Compound |
SMILES |
ΔG / kcal M-1 |
pIC50 |
4401 |
EN300-100271_1_1
|
|
CC(C)(CNC(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)C |
−8.6
± 0.3
|
6.3
± 0.2
|
4402 |
JOH-UNI-6fede743-2
|
|
c1ccc2c(c1)cnc(c2NC(=O)Cc3cccc(c3)Cl)C(F)F |
−8.6
± 0.4
|
6.3
± 0.3
|
4403 |
EN300-7438575_2_1
|
|
C[C@@H](C1[C@H]2COC[C@H]2ON1)NC(=O)CC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−8.6
± 0.2
|
6.2
± 0.2
|
4404 |
EN300-45049_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCS(=O)(=O)N5 |
−8.6
± 0.3
|
6.2
± 0.2
|
4405 |
EN300-6759637_1_1
|
|
C[C@@H]1CN(C[C@H](O1)CO)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.6
± 0.3
|
6.2
± 0.2
|
4406 |
EN300-170715_1_1
|
|
C[C@@H](CNC(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)c5nncn5C |
−8.6
± 0.3
|
6.2
± 0.2
|
4407 |
EN300-199449_1_3
|
|
C[C@@H]1[C@H](CCC(=O)N1)NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.6
± 0.3
|
6.2
± 0.2
|
4408 |
EN300-46832_4_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC(=O)NC[C@H]5CCOC5 |
−8.6
± 0.4
|
6.2
± 0.3
|
4409 |
ALP-UNI-76695c4f-9
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN(CC5)CC(CO)(F)F |
−8.6
± 0.4
|
6.2
± 0.3
|
4410 |
EN300-6974806_4_1
|
|
C[C@H]([C@@H](C(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)O |
−8.6
± 0.5
|
6.2
± 0.3
|
4411 |
EN300-246747_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H]5CC(=O)NC5 |
−8.6
± 0.3
|
6.2
± 0.2
|
4412 |
EN300-252113_1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCS(=O)(=O)[C@H]6[C@@H]5CCOC6 |
−8.6
± 0.4
|
6.2
± 0.3
|
4413 |
EN300-50488_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CNC(=O)OCC(F)(F)F |
−8.6
± 0.3
|
6.2
± 0.2
|
4414 |
EN300-92406_1_1
|
|
Cc1c([nH]c(=O)[nH]1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.6
± 0.3
|
6.2
± 0.2
|
4415 |
EN300-332601_3_1
|
|
CC[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C |
−8.6
± 0.3
|
6.2
± 0.2
|
4416 |
MIC-UNK-cdc2493e-15
|
|
c1ccc2c(c1)cncc2NC(=O)N(CCC3CCCS3(=O)=O)c4cccc(c4)Cl |
−8.6
± 0.3
|
6.2
± 0.2
|
4417 |
DAR-DIA-0d514e7d-11
|
|
C[C@@H]1COc2ccc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)C#N |
−8.6
± 0.2
|
6.2
± 0.1
|
4418 |
EN300-7443668_1_1
|
|
CN1C(=O)NCC12CN(C2)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−8.6
± 0.3
|
6.2
± 0.2
|
4419 |
PET-UNK-c9c1e0d8-3
|
|
c1ccc2c(c1)cncc2N3CCCC(C3=O)c4cccc(c4)Cl |
−8.57
± 0.06
|
6.24
± 0.05
|
4420 |
EN300-180532_1_1
|
|
C[C@@H]1CN(CCS(=O)(=O)C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.6
± 0.5
|
6.2
± 0.4
|
4421 |
MAK-UNK-3875bbc8-3
|
|
CN(c1cncc2c1cccc2)C(=O)C3CCOc4c3cccc4 |
−8.57
± 0.10
|
6.24
± 0.07
|
4422 |
RAL-THA-2d450e86-9
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3ccc(c(c3)F)Cl |
−8.6
± 0.2
|
6.2
± 0.2
|
4423 |
EN300-214189_1_1
|
|
Cn1c(cnn1)CNC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.6
± 0.2
|
6.2
± 0.1
|
4424 |
EN300-383904_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCNC(=O)CO |
−8.6
± 0.3
|
6.2
± 0.2
|
4425 |
MAT-POS-1f3f1a6f-3
|
|
CC(=O)NC(c1ccc(c(c1)Cl)Cl)C(=O)Nc2cncc3c2cccc3 |
−8.6
± 0.3
|
6.2
± 0.2
|
4426 |
EN300-15368_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccccc5OCC(=O)N |
−8.6
± 0.3
|
6.2
± 0.2
|
4427 |
DAR-DIA-0d514e7d-32
|
|
c1ccc2c(c1)cncc2NC(=O)C3C4CC4COC5C3C=C(C=C5)Cl |
−8.6
± 0.1
|
6.24
± 0.08
|
4428 |
EN300-1265071_2_1
|
|
CN(Cc1cn[nH]n1)C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.6
± 0.3
|
6.2
± 0.2
|
4429 |
EN300-4698402_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5C[C@H]5F |
−8.6
± 0.2
|
6.2
± 0.1
|
4430 |
EN300-72272_2_1
|
|
C[C@@H]([C@@H](C)O)NC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.6
± 0.2
|
6.2
± 0.2
|
4431 |
EN300-39405_1_1
|
|
C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)C |
−8.6
± 0.3
|
6.2
± 0.2
|
4432 |
EN300-304378_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H](C[C@H](C5)F)O |
−8.6
± 0.3
|
6.2
± 0.2
|
4433 |
DAR-DIA-0d514e7d-7
|
|
C[C@H]1COc2c(cc(cc2NC3CC3)Cl)[C@@H]1C(=O)Nc4cncc5c4cccc5 |
−8.6
± 0.1
|
6.2
± 0.1
|
4434 |
EN300-104592_3_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CC[C@H]5CCC(=O)N5 |
−8.6
± 0.4
|
6.2
± 0.3
|
4435 |
EN300-132615_2_2
|
|
C[C@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)N |
−8.6
± 0.4
|
6.2
± 0.3
|
4436 |
EN300-91609_1_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@@H]6[C@H]5C6 |
−8.6
± 0.3
|
6.2
± 0.2
|
4437 |
EN300-31185_1_1
|
|
CC(C)C(=O)NCCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.6
± 0.3
|
6.2
± 0.2
|
4438 |
EN300-239233_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCn5c(=O)cccn5 |
−8.6
± 0.2
|
6.2
± 0.2
|
4439 |
EN300-7003350_2_1
|
|
CCNC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.6
± 0.1
|
6.23
± 0.10
|
4440 |
EN300-50639_1_1
|
|
C[C@@H](C(=O)N(C)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cccn5 |
−8.6
± 0.3
|
6.2
± 0.2
|
4441 |
EN300-190026_2_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H](CO)[C@H]5CCCO5 |
−8.5
± 0.3
|
6.2
± 0.2
|
4442 |
EN300-02015_3_1
|
|
COCCNC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.5
± 0.3
|
6.2
± 0.2
|
4443 |
MIC-UNK-91acba05-1
|
|
c1ccc2c(c1)cncc2NC(=O)C3CNC(=O)c4c3cc(cc4)Cl |
−8.5
± 0.2
|
6.2
± 0.2
|
4444 |
EN300-295905_1_3
|
|
C[C@@H]1CN(C[C@H](O1)C(=O)N)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.5
± 0.3
|
6.2
± 0.2
|
4445 |
EN300-214038_1_1
|
|
C[C@@H](CN(CCO)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−8.5
± 0.4
|
6.2
± 0.3
|
4446 |
EN300-1708882_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C[C@@H]5COC[C@H]5O |
−8.5
± 0.4
|
6.2
± 0.3
|
4447 |
EN300-716218_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCNC(=O)C56CC6 |
−8.5
± 0.4
|
6.2
± 0.3
|
4448 |
MIC-UNK-91acba05-3
|
|
c1ccc2c(c1)cncc2NC(=O)C3CCS(=O)(=O)c4c3cc(cc4)Cl |
−8.5
± 0.2
|
6.2
± 0.1
|
4449 |
EN300-317555_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC5[NH2+]CCO5 |
−8.5
± 0.3
|
6.2
± 0.2
|
4450 |
EN300-866702_1_1
|
|
C=CCOC(=O)NCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.5
± 0.3
|
6.2
± 0.2
|
4451 |
EN300-07127_2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC[C@H]5C(=O)N |
−8.5
± 0.3
|
6.2
± 0.2
|
4452 |
EDJ-MED-40433386-5
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H](C5CCC5)O |
−8.5
± 0.3
|
6.2
± 0.2
|
4453 |
EN300-624143_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H]5CC56CC(C6)O |
−8.5
± 0.2
|
6.2
± 0.2
|
4454 |
EN300-1709101_2_1
|
|
Cc1nc(nn1C)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.5
± 0.2
|
6.2
± 0.1
|
4455 |
EN300-108507_1_2
|
|
CO[C@H]1CN(CCO1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.5
± 0.3
|
6.2
± 0.2
|
4456 |
EN300-6737762_3_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCCCNC5=O |
−8.5
± 0.3
|
6.2
± 0.2
|
4457 |
EN300-59386_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc(s5)S(=O)(=O)N |
−8.5
± 0.3
|
6.2
± 0.3
|
4458 |
EDG-MED-4c68219f-13
|
|
CN(C)CCCNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.5
± 0.4
|
6.2
± 0.3
|
4459 |
EN300-1968342_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@@H](CF)O |
−8.5
± 0.2
|
6.2
± 0.2
|
4460 |
EN300-74965_1_1
|
|
Cc1c2c(=O)cc([nH]c2n(n1)C)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−8.5
± 0.3
|
6.2
± 0.2
|
4461 |
EN300-181492_4_2
|
|
C=C[C@H](C(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−8.5
± 0.4
|
6.2
± 0.3
|
4462 |
EN300-122319_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5c(=O)[nH]c(=O)[nH]n5 |
−8.5
± 0.2
|
6.2
± 0.2
|
4463 |
EN300-201346_2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5COC(=O)N5 |
−8.5
± 0.2
|
6.2
± 0.2
|
4464 |
EN300-6743783_1_1
|
|
COC[C@H]1CN(CCO1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.5
± 0.4
|
6.2
± 0.3
|
4465 |
VLA-UCB-05e51b3f-15
|
|
c1ccc2c(c1)cncc2N(C(=O)Cc3cccc(c3)Cl)C(=O)CCl |
−8.5
± 0.4
|
6.2
± 0.3
|
4466 |
DAR-DIA-6a508060-8
|
|
c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cc4)C5CC5 |
−8.53
± 0.10
|
6.21
± 0.07
|
4467 |
EN300-360157_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@@]5(CCOC5)O |
−8.5
± 0.3
|
6.2
± 0.2
|
4468 |
EN300-202922_2_1
|
|
C[C@@H]([C@@](C)(C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)O |
−8.5
± 0.3
|
6.2
± 0.2
|
4469 |
EN300-303908_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@]6(C[C@H]6C5)O |
−8.5
± 0.2
|
6.2
± 0.2
|
4470 |
EDJ-MED-ee07cf00-8
|
|
c1ccc2c(c1)cncc2NC(=O)C(c3cccc(c3)Cl)NC(=O)Cn4cc(c(=O)[nH]c4=O)C#N |
−8.5
± 0.5
|
6.2
± 0.4
|
4471 |
EN300-704039_1_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5C[C@H](C56CCOCC6)O |
−8.5
± 0.4
|
6.2
± 0.3
|
4472 |
EN300-102864_3_1
|
|
Cc1cc(cc(=O)n1CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−8.5
± 0.3
|
6.2
± 0.2
|
4473 |
BEN-DND-a7517465-5
|
|
c1cc2cncc(c2c(c1)F)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
−8.52
± 0.05
|
6.21
± 0.04
|
4474 |
ALP-POS-d91e0300-1
|
|
c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(c(c4)F)Cl |
−8.52
± 0.05
|
6.21
± 0.04
|
4475 |
MAT-POS-43c25e9b-2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CC(=O)Nc4c3cc(cc4)Cl |
−8.5
± 0.3
|
6.2
± 0.2
|
4476 |
ALP-UNI-0676e700-10
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccc6nnnn6c5 |
−8.5
± 0.4
|
6.2
± 0.3
|
4477 |
EN300-6486763_1_2
|
|
C[C@H]1C2(CN(C2)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6)OC(=O)N1 |
−8.5
± 0.3
|
6.2
± 0.2
|
4478 |
MAT-POS-de59a476-1
|
|
c1ccc2c(c1)cncc2NC(=O)C(c3ccc(c(c3)Cl)Cl)O |
−8.5
± 0.3
|
6.2
± 0.2
|
4479 |
EN300-87334_4_1
|
|
Cn1c(ncn1)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.5
± 0.3
|
6.2
± 0.2
|
4480 |
EN300-1915260_2_1
|
|
COC[C@@H](COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−8.5
± 0.4
|
6.2
± 0.3
|
4481 |
EN300-7463171_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCS(=O)(=O)CCO |
−8.5
± 0.5
|
6.2
± 0.4
|
4482 |
EDJ-MED-e4b030d8-10
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3c(c(cc4)Cl)Cl |
−8.52
± 0.08
|
6.20
± 0.06
|
4483 |
EN300-307592_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5CC(C5)O |
−8.5
± 0.3
|
6.2
± 0.2
|
4484 |
EN300-12204_2_1
|
|
CCCNC(=O)CN(C)C(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.5
± 0.4
|
6.2
± 0.3
|
4485 |
EN300-139167_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H]5COCCO5 |
−8.5
± 0.1
|
6.2
± 0.1
|
4486 |
EN300-83827_1_1
|
|
CS(=O)(=O)[C@@H]1CSCCN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.5
± 0.3
|
6.2
± 0.2
|
4487 |
EN300-05754_2_1
|
|
C[C@@H](C(=O)N1CCOCC1)OC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.5
± 0.3
|
6.2
± 0.2
|
4488 |
EN300-1988306_4_1
|
|
CS(=O)(=O)CCC(=O)COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.5
± 0.4
|
6.2
± 0.3
|
4489 |
EN300-383904_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CCNC(=O)CO |
−8.5
± 0.3
|
6.2
± 0.3
|
4490 |
DAR-DIA-0cde14eb-52
|
|
c1ccc2c(c1)cncc2NC(=O)Nc3cccc(c3)C4(CC4)F |
−8.5
± 0.4
|
6.2
± 0.3
|
4491 |
EN300-1387104_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H]5CCS5(=O)=O |
−8.5
± 0.4
|
6.2
± 0.3
|
4492 |
EN300-6758671_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5C[C@@H](C[C@H]5O)O |
−8.5
± 0.3
|
6.2
± 0.2
|
4493 |
EN300-210089_1_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC5[C@H]6[C@@H]5COC6 |
−8.5
± 0.2
|
6.2
± 0.2
|
4494 |
ALP-UNI-3496895b-11
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(CC5)Cc6n[nH]nn6 |
−8.5
± 0.4
|
6.2
± 0.3
|
4495 |
EN300-79180_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H](C5CCOCC5)O |
−8.5
± 0.3
|
6.2
± 0.2
|
4496 |
ALP-POS-ddb41b15-6
|
|
c1ccc2c(c1)cncc2NC(=O)Oc3cccc(c3)Cl |
−8.5
± 0.2
|
6.2
± 0.1
|
4497 |
EN300-266552_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN(CC5)c6[nH]ncn6 |
−8.5
± 0.3
|
6.2
± 0.2
|
4498 |
EDJ-MED-ee07cf00-2
|
|
Cc1c(c(=O)n2c(n1)cc[nH]2)CC(=O)NC(c3cccc(c3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.5
± 0.4
|
6.2
± 0.3
|
4499 |
KAD-UNI-8a629cb0-18
|
|
Cc1ccn2c(n1)nc(n2)C(=O)NCC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−8.5
± 0.3
|
6.2
± 0.2
|
4500 |
EN300-17381_2_1
|
|
C[C@@H](C(=O)N)OC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.5
± 0.1
|
6.19
± 0.10
|