Rank |
Compound |
SMILES |
ΔG / kcal M-1 |
pIC50 |
5501 |
EN300-129455_2_1
|
|
CCNC(=O)CC(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−7.3
± 0.2
|
5.3
± 0.1
|
5502 |
EN300-02067_2_2
|
|
C[C@H](COC)NC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−7.3
± 0.3
|
5.3
± 0.2
|
5503 |
EN300-259187_3_2
|
|
CCN1C[C@H](CCC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−7.3
± 0.2
|
5.3
± 0.2
|
5504 |
EDG-MED-90036822-48
|
|
C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)N(C)C |
−7.3
± 0.3
|
5.3
± 0.2
|
5505 |
EN300-318341_1_1
|
|
CN(C1CS(=O)(=O)C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−7.3
± 0.3
|
5.3
± 0.2
|
5506 |
EN300-1266519_2_2
|
|
C[C@H](C1CS(=O)(=O)C1)NC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−7.3
± 0.3
|
5.3
± 0.2
|
5507 |
MAT-POS-f9802937-3
|
|
CN(C)C(=O)C[C@@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−7.3
± 0.4
|
5.3
± 0.3
|
5508 |
ALP-UNI-3496895b-10
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN(CC5)CC(CO)(F)F |
−7.3
± 0.5
|
5.3
± 0.4
|
5509 |
EN300-206592_2_1
|
|
CCC[C@@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)N |
−7.3
± 0.5
|
5.3
± 0.3
|
5510 |
BRU-THA-01b12488-1
|
|
C[C@@H]1COc2ccc(cc2[C@H]1C(=O)Nc3cncc4c3cccc4)Cl |
−7.3
± 0.3
|
5.3
± 0.2
|
5511 |
EN300-2723070_4_1
|
|
C[NH+](C)[C@@H]1COC[C@@H]1OCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−7.3
± 0.5
|
5.3
± 0.4
|
5512 |
ALP-UNI-3496895b-14
|
|
Cc1cc(=O)n2c(n1)nc([nH]2)NC(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−7.3
± 0.3
|
5.3
± 0.2
|
5513 |
EN300-250836_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CCc5c[nH]nc5 |
−7.3
± 0.3
|
5.3
± 0.2
|
5514 |
EN300-657211_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)Cc5[nH]nc(n5)C6CC6 |
−7.3
± 0.2
|
5.3
± 0.1
|
5515 |
EN300-7500524_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]6[C@@H](C5)COC(=O)N6 |
−7.3
± 0.3
|
5.3
± 0.2
|
5516 |
DAR-DIA-0d514e7d-5
|
|
C[C@H]1COc2c(cc(cc2NC3CCCC3)Cl)[C@@H]1C(=O)Nc4cncc5c4cccc5 |
−7.3
± 0.2
|
5.3
± 0.2
|
5517 |
EN300-70133_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)Nc5c(cnn5CCO)C#N |
−7.3
± 0.3
|
5.3
± 0.2
|
5518 |
EDJ-MED-d08626de-1
|
|
CO[C@@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−7.3
± 0.3
|
5.3
± 0.2
|
5519 |
RAL-THA-8416115c-2
|
|
CN1CCC(c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−7.3
± 0.2
|
5.3
± 0.1
|
5520 |
RAL-THA-2d450e86-22
|
|
COc1c(cccc1Cl)CC(=O)Nc2cncc3c2cccc3 |
−7.3
± 0.3
|
5.3
± 0.2
|
5521 |
EN300-20233_4_1
|
|
COCC(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−7.3
± 0.2
|
5.3
± 0.2
|
5522 |
ALP-UNI-0676e700-3
|
|
Cc1cc(no1)NC(=O)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−7.3
± 0.3
|
5.3
± 0.2
|
5523 |
EN300-152705_2_1
|
|
C[C@@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)N |
−7.3
± 0.2
|
5.3
± 0.1
|
5524 |
EN300-139167_4_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@H]5COCCO5 |
−7.3
± 0.2
|
5.3
± 0.1
|
5525 |
EDJ-MED-e4b030d8-12
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3Cc4cc(ccc4OC3)Cl |
−7.3
± 0.2
|
5.3
± 0.2
|
5526 |
EN300-1697005_3_1
|
|
CCC(=O)N1CSC[C@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−7.3
± 0.4
|
5.3
± 0.3
|
5527 |
EN300-31148_2_2
|
|
CCC(=O)N[C@H](C)C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−7.3
± 0.3
|
5.3
± 0.2
|
5528 |
EN300-1703015_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C(=O)Nc5[nH]ccn5 |
−7.3
± 0.2
|
5.3
± 0.2
|
5529 |
BEN-DND-6de5dfa0-11
|
|
CC(=O)N1CCN(CC1)CC(=O)Nc2cncc3c2cccc3 |
−7.3
± 0.4
|
5.3
± 0.3
|
5530 |
MIC-UNK-91acba05-6
|
|
CN1CCC(c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−7.3
± 0.2
|
5.3
± 0.1
|
5531 |
EN300-1704404_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CNC(=O)CC56CCC6 |
−7.3
± 0.4
|
5.3
± 0.3
|
5532 |
EN300-94408_2_1
|
|
CC[C@@H](CNC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−7.3
± 0.3
|
5.3
± 0.2
|
5533 |
ED_-GRI-5b13fbe2-25
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCNCCOCCO |
−7.3
± 0.6
|
5.3
± 0.4
|
5534 |
EDJ-MED-9e38fd34-5
|
|
C[C@]1(c2cc(c(cc2NC1=O)Cl)Cl)C(=O)Nc3cncc4c3cccc4 |
−7.3
± 0.4
|
5.3
± 0.3
|
5535 |
EN300-14767_4_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H]5CCCN(C5)C(=O)N |
−7.3
± 0.3
|
5.3
± 0.2
|
5536 |
RAL-THA-05e671eb-13
|
|
c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3ccc(c4)F |
−7.26
± 0.08
|
5.29
± 0.06
|
5537 |
DAR-DIA-0d514e7d-22
|
|
C[C@H]1COc2c(cc(cc2N3CCN(CC3)C)Cl)[C@@H]1C(=O)Nc4cncc5c4cccc5 |
−7.3
± 0.2
|
5.3
± 0.2
|
5538 |
EN300-173020_2_1
|
|
C[C@@H](c1nnnn1C)NC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−7.2
± 0.2
|
5.3
± 0.1
|
5539 |
ED_-GRI-5b13fbe2-68
|
|
C[C@@H](CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)N |
−7.2
± 0.3
|
5.3
± 0.2
|
5540 |
EN300-1932013_4_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H](CC(F)(F)F)O |
−7.2
± 0.4
|
5.3
± 0.3
|
5541 |
EN300-30397_2_1
|
|
C[C@@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cncn5 |
−7.2
± 0.3
|
5.3
± 0.2
|
5542 |
EN300-6498726_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H](CO)CF |
−7.2
± 0.3
|
5.3
± 0.2
|
5543 |
MAK-UNK-83e0a0b4-2
|
|
c1cc2c(cc1CN3CCNCC3)cncc2N(CCNC4CNC4)C(=O)C5CCOc6c5cc(cc6)Cl |
−7.2
± 0.5
|
5.3
± 0.4
|
5544 |
ED_-GRI-5b13fbe2-59
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCNCCCO |
−7.2
± 0.4
|
5.3
± 0.3
|
5545 |
EDG-MED-90036822-68
|
|
CN(CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)C5CC5 |
−7.2
± 0.2
|
5.3
± 0.2
|
5546 |
EN300-223491_4_1
|
|
Cn1[cH+][nH]n(c1=O)CCC(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−7.2
± 0.3
|
5.3
± 0.3
|
5547 |
EN300-263395_1_1
|
|
CN1CCN(CCC1=O)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−7.2
± 0.2
|
5.3
± 0.2
|
5548 |
EN300-175474_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCc6c(c(=O)[nH]cn6)C5 |
−7.2
± 0.3
|
5.3
± 0.2
|
5549 |
EN300-1644723_2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5[C@@H]6[C@@H]5COCC6 |
−7.2
± 0.2
|
5.3
± 0.2
|
5550 |
EN300-116313_3_2
|
|
CC(=O)N1CCOC[C@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−7.2
± 0.4
|
5.3
± 0.3
|
5551 |
VLA-UCB-1dbca3b4-3
|
|
c1ccc2c(c1)cncc2N3C(=O)CN(C3=O)c4cccc(c4)Cl |
−7.2
± 0.3
|
5.3
± 0.2
|
5552 |
EN300-296237_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H](CO)C(F)(F)F |
−7.2
± 0.5
|
5.3
± 0.4
|
5553 |
EN300-1587757_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCCNS5(=O)=O |
−7.2
± 0.4
|
5.3
± 0.3
|
5554 |
EN300-2007564_2_1
|
|
CC1([C@@H](CCS1(=O)=O)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C |
−7.2
± 0.3
|
5.3
± 0.3
|
5555 |
KAD-UNI-8a629cb0-6
|
|
Cn1c(=O)c2c(cn1)CN(CC2)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−7.2
± 0.3
|
5.3
± 0.2
|
5556 |
VLA-UNK-f702bf1c-1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CCc6cc[nH]n6 |
−7.2
± 0.3
|
5.3
± 0.2
|
5557 |
EDG-MED-90036822-82
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCc5[nH]ccn5 |
−7.2
± 0.3
|
5.3
± 0.2
|
5558 |
EN300-177118_2_1
|
|
C[C@@]1(CCC(=O)N1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−7.2
± 0.3
|
5.3
± 0.2
|
5559 |
RAL-THA-05e671eb-15
|
|
c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3ccc(c4)C#N |
−7.2
± 0.2
|
5.3
± 0.1
|
5560 |
ALP-UNI-b33a865d-1
|
|
c1ccc2c(c1)cncc2NC(=O)C3CCN(c4c3cc(cc4)Cl)Cc5cnc[nH]5 |
−7.2
± 0.2
|
5.3
± 0.2
|
5561 |
EN300-51071_1_1
|
|
CC(C)(C)NS(=O)(=O)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−7.2
± 0.2
|
5.3
± 0.2
|
5562 |
RAL-THA-05e671eb-30
|
|
COc1c(ccc2c1C(CCO2)C(=O)Nc3cncc4c3cccc4)Cl |
−7.2
± 0.1
|
5.25
± 0.09
|
5563 |
EN300-7412943_2_1
|
|
CC1(CN(C[C@@H](O1)CO)C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C |
−7.2
± 0.3
|
5.2
± 0.2
|
5564 |
ALP-UNI-76695c4f-7
|
|
CCN1CCN(CC1)C2CN(C2)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−7.2
± 0.3
|
5.2
± 0.2
|
5565 |
EN300-116885_2_1
|
|
Cc1c(nc(c(=O)[nH]1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C |
−7.2
± 0.3
|
5.2
± 0.2
|
5566 |
EN300-130825_2_1
|
|
CN1[C@@H](CCC1=O)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−7.2
± 0.3
|
5.2
± 0.2
|
5567 |
RAL-THA-1d44ff04-8
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)c4[nH]cnn4 |
−7.2
± 0.4
|
5.2
± 0.3
|
5568 |
DAR-DIA-0cde14eb-55
|
|
CC(c1cccc(c1)C2(CC2)C)C(=O)Nc3cncc4c3cccc4 |
−7.2
± 0.3
|
5.2
± 0.2
|
5569 |
EN300-158274_4_1
|
|
CC(=O)N1C[C@H](C[C@@H]1C(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−7.2
± 0.4
|
5.2
± 0.3
|
5570 |
BAR-COM-0f94fc3d-47
|
|
Cc1ccc2c(c1)c(co2)CC(=O)Nc3cncc4c3cccc4 |
−7.2
± 0.3
|
5.2
± 0.2
|
5571 |
ED_-GRI-5b13fbe2-23
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCN5CCn6c(c(cn6)CN)C5 |
−7.2
± 0.7
|
5.2
± 0.5
|
5572 |
EN300-154229_1_1
|
|
C[C@H](C[NH+]1CCN(CC1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−7.2
± 0.4
|
5.2
± 0.3
|
5573 |
EN300-1178209_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCc5cn[nH]n5 |
−7.2
± 0.3
|
5.2
± 0.2
|
5574 |
ALP-UNI-3735e77e-3
|
|
c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(c(c4)Cl)F |
−7.19
± 0.09
|
5.24
± 0.07
|
5575 |
KAD-UNI-8a629cb0-31
|
|
C[C@@]12CN(C[C@]1(C(=O)NC2=O)C)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−7.2
± 0.3
|
5.2
± 0.2
|
5576 |
RAL-THA-05e671eb-11
|
|
c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(c(c4)Cl)F |
−7.18
± 0.09
|
5.23
± 0.07
|
5577 |
EN300-123712_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cccc(n5)n6cncn6 |
−7.2
± 0.3
|
5.2
± 0.2
|
5578 |
MAK-UNK-8be7dca9-6_1
|
|
c1cc(c2cncc(c2c1)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl)C[NH3+] |
−7.2
± 0.1
|
5.23
± 0.09
|
5579 |
ALP-POS-966f8da6-1
|
|
c1ccc2c(c1)cncc2NC(=O)C3CCN(c4c3cc(cc4)Cl)Cc5cnc[nH]5 |
−7.2
± 0.3
|
5.2
± 0.2
|
5580 |
MAT-POS-89e65850-2
|
|
COC1=Nc2ccc(cc2C(C1)(C(=O)Nc3cncc4c3cccc4)OC)Cl |
−7.2
± 0.2
|
5.2
± 0.1
|
5581 |
EN300-741926_2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@H]([C@@H](C5)F)O |
−7.2
± 0.2
|
5.2
± 0.2
|
5582 |
RAL-THA-05e671eb-36
|
|
c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3c(ccc4)C#N |
−7.2
± 0.1
|
5.23
± 0.08
|
5583 |
EN300-297451_1_1
|
|
CC(C)[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C |
−7.2
± 0.3
|
5.2
± 0.2
|
5584 |
ALP-POS-2da19ca7-3
|
|
Cn1cnc2c(c1=O)CCN(C2)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−7.2
± 0.2
|
5.2
± 0.2
|
5585 |
MIC-UNK-5a93dd5f-5
|
|
CC(=O)NC1CCN(C1)C(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−7.2
± 0.2
|
5.2
± 0.2
|
5586 |
EN300-260418_3_1
|
|
C[N@@]1C([NH2+]C(N1)C2CC2)CC(=O)NCC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−7.2
± 0.6
|
5.2
± 0.5
|
5587 |
MAK-UNK-8be7dca9-8
|
|
c1cc2cncc(c2cc1CC(=O)O)NC(=O)C3CCOc4c3cc(cc4)Cl |
−7.17
± 0.08
|
5.22
± 0.06
|
5588 |
RAL-THA-05e671eb-12
|
|
Cc1ccc2c(c1)OCCC2C(=O)Nc3cncc4c3cccc4 |
−7.2
± 0.1
|
5.22
± 0.10
|
5589 |
EN300-103031_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5c6c([nH]n5)CCOC6 |
−7.2
± 0.3
|
5.2
± 0.2
|
5590 |
EN300-94643_1_1
|
|
CC(C)(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)[NH+]5CC[NH+](CC5)C |
−7.2
± 0.3
|
5.2
± 0.2
|
5591 |
EDG-MED-ba1ac7b9-21
|
|
c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCC5Cn6ccnc6 |
−7.2
± 0.2
|
5.2
± 0.2
|
5592 |
EN300-6739934_4_1
|
|
Cc1cc(nn1CCO)C(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−7.2
± 0.3
|
5.2
± 0.2
|
5593 |
ED_-GRI-5b13fbe2-14
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NCCC(=O)O |
−7.2
± 0.3
|
5.2
± 0.2
|
5594 |
EN300-7445890_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCCC6(C5)[C@@H](C[C@@H]6O)O |
−7.2
± 0.3
|
5.2
± 0.2
|
5595 |
EN300-1724086_2_3
|
|
C[C@@H]1C[C@H](CN(C1)C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C(=O)N |
−7.2
± 0.3
|
5.2
± 0.2
|
5596 |
EDG-MED-90036822-7
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CC(=O)N(C5)CCCN |
−7.2
± 0.3
|
5.2
± 0.2
|
5597 |
KAD-UNI-8a629cb0-25
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C[C@@H]6CCS(=O)(=O)C[C@H]6C5 |
−7.2
± 0.4
|
5.2
± 0.3
|
5598 |
EN300-148421_2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@]5(CCOC5)O |
−7.1
± 0.2
|
5.2
± 0.2
|
5599 |
NAU-LAT-a5c7d7cb-1
|
|
CC(=O)N1CCN(CC1)CC(=O)Nc2cncc3c2cccc3 |
−7.1
± 0.4
|
5.2
± 0.3
|
5600 |
RAL-THA-05e671eb-5
|
|
Cc1ccc2c(c1)C(CCO2)C(=O)Nc3cncc4c3cccc4 |
−7.15
± 0.06
|
5.21
± 0.04
|