| Rank |
Compound |
SMILES |
ΔG / kcal M-1 |
pIC50 |
| 4601 |
EN300-1268016_2_16
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H]5C[C@H]6[C@H]5C[C@H](C6)C(=O)N |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4602 |
EN300-246423_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CC5(CCC5)O |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4603 |
EN300-307155_2_2
|
|
Cn1cnnc1[C@H](CO)NC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4604 |
EN300-1428805_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5Cc6cncn6C(=O)N5 |
−8.4
± 0.2
|
6.1
± 0.2
|
| 4605 |
EN300-99161_1_1
|
|
C[C@@]1(CCN(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−8.4
± 0.2
|
6.1
± 0.1
|
| 4606 |
CHO-MSK-a31cca77-2
|
|
Cn1cnnc1NC(=O)CC2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4607 |
EN300-252721_1_1
|
|
CS(=O)(=O)c1cccnc1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4608 |
DAR-DIA-0cde14eb-56
|
|
CC(c1cccc(c1)C2(CC2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.4
± 0.2
|
6.1
± 0.2
|
| 4609 |
ALP-POS-477dc5b7-1
|
|
c1ccc2c(c1)cncc2NC(=O)C3CCCc4c3cc(cc4)Cl |
−8.42
± 0.09
|
6.13
± 0.07
|
| 4610 |
EN300-385267_1_2
|
|
CO[C@]1(CCS(=O)(=O)C1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4611 |
MIC-UNK-45817b9b-2
|
|
CN1c2ccc(cc2C(CC1=O)C(=O)Nc3cncc4c3cccc4)Cl |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4612 |
ALP-UNI-3496895b-2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC6C5CCCN6CCO |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4613 |
EN300-126412_1_1
|
|
CN(Cc1ncon1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4614 |
JOH-UNI-ee5ed7c8-2
|
|
c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2c(ccc3)C(=O)/C=C/C#N |
−8.4
± 0.4
|
6.1
± 0.3
|
| 4615 |
EN300-154332_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@@H]5CO |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4616 |
EN300-1273362_4_2
|
|
C[C@]1(CN(C1=O)C)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.4
± 0.5
|
6.1
± 0.3
|
| 4617 |
MIC-UNK-50cce87d-2
|
|
c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2c(ccc3)Cl |
−8.4
± 0.2
|
6.1
± 0.2
|
| 4618 |
EN300-82037_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)Cc5ccon5 |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4619 |
EN300-19542_4_1
|
|
C[C@@H](C(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4620 |
DAR-DIA-5ff57136-7
|
|
C=CC(=O)N(c1cncc2c1cccc2)C(=O)C3=CCOc4c3cc(cc4)Cl |
−8.4
± 0.4
|
6.1
± 0.3
|
| 4621 |
EN300-132157_2_1
|
|
C[C@@]1(CC(=O)NC1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4622 |
EN300-6729572_4_3
|
|
C[C@@H]([C@H]1C[C@@H]1C(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4623 |
EN300-392640_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5C[C@H]([C@H](C5)O)O |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4624 |
RAL-THA-05e671eb-29
|
|
Cc1c(ccc2c1C(CCO2)C(=O)Nc3cncc4c3cccc4)Cl |
−8.41
± 0.07
|
6.12
± 0.05
|
| 4625 |
EN300-154942_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5OCCO5 |
−8.4
± 0.2
|
6.1
± 0.2
|
| 4626 |
DAR-DIA-076fb6ea-15
|
|
c1ccc2c(c1)cncc2N(C(=O)Cc3cccc(c3)Cl)N=C=S |
−8.4
± 0.4
|
6.1
± 0.3
|
| 4627 |
EN300-195924_1_1
|
|
C[C@@]1(CCC(=O)NC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4628 |
EDG-MED-ba1ac7b9-16
|
|
Cn1cncc1CN(C2CC2)C(=O)CC3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4629 |
ADA-UCB-dc2b944c-15_1
|
|
CC1(COc2ccc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl)C |
−8.4
± 0.2
|
6.1
± 0.2
|
| 4630 |
ALP-POS-2da19ca7-6
|
|
Cn1c(nnn1)C2=CCN(CC2)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4631 |
EN300-1725538_3_2
|
|
Cn1cc(nc1)C[C@H](C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4632 |
EN300-67023_1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CS(=O)(=O)C[C@H]5CCCO5 |
−8.4
± 0.4
|
6.1
± 0.3
|
| 4633 |
EN300-142130_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H](CO)C(F)(F)F |
−8.4
± 0.4
|
6.1
± 0.3
|
| 4634 |
EN300-1723663_3_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCN(C(=O)C5)CCO |
−8.4
± 0.4
|
6.1
± 0.3
|
| 4635 |
BEN-BAS-c2bc0d80-3
|
|
c1ccc2c(c1)cncc2N3C(=O)C4(CCOc5c4cc(cc5)Cl)CN3 |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4636 |
EN300-20160_1_1
|
|
C[C@@H](CNC(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4637 |
MIC-UNK-bcd487e9-4
|
|
c1ccc2c(c1)cncc2NC(=O)N(CC3CCCO3)c4cccc(c4)Cl |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4638 |
ALP-POS-966f8da6-2
|
|
CC(=O)N1CCC(c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.4
± 0.2
|
6.1
± 0.2
|
| 4639 |
EN300-124652_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC[C@@H]5CC(=O)N |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4640 |
ADA-UCB-dc2b944c-9
|
|
c1ccc2c(c1)cnc(c2NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl)Br |
−8.4
± 0.1
|
6.12
± 0.09
|
| 4641 |
RAL-THA-1d44ff04-7
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)c4[nH]ccn4 |
−8.4
± 0.4
|
6.1
± 0.3
|
| 4642 |
EN300-260603_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCc5c[nH]c(=O)[nH]5 |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4643 |
EN300-7435581_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC5[C@H]6COC[C@H]6ON5 |
−8.4
± 0.2
|
6.1
± 0.2
|
| 4644 |
EN300-00271_4_1
|
|
C[C@@H](C(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)N |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4645 |
KAD-UNI-8a629cb0-7
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]6CS(=O)(=O)C[C@@H]6C5 |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4646 |
ALP-POS-2da19ca7-2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN(CC5)C6CCOC6 |
−8.4
± 0.4
|
6.1
± 0.3
|
| 4647 |
EN300-1720418_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC5CCON5 |
−8.4
± 0.2
|
6.1
± 0.1
|
| 4648 |
EN300-370792_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(CCO)c5cnccn5 |
−8.4
± 0.5
|
6.1
± 0.3
|
| 4649 |
EN300-315963_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)Cc5co[nH][cH+]5 |
−8.4
± 0.2
|
6.1
± 0.2
|
| 4650 |
EDJ-MED-ee07cf00-18
|
|
c1ccc2c(c1)cncc2NC(=O)C(c3cccc(c3)Cl)NC(=O)CN4CCN(C4=O)C5CC5 |
−8.4
± 0.5
|
6.1
± 0.3
|
| 4651 |
ALP-UNI-0676e700-7
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5CCC(CC5)NC(=O)N |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4652 |
EN300-6481287_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCO[C@H]5[C@@H](C[C@H]6[C@@H]5CC6=O)O |
−8.4
± 0.4
|
6.1
± 0.3
|
| 4653 |
EN300-306026_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5CC(C5)O |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4654 |
JOH-UNI-3fc3434e-6
|
|
c1ccc2c(c1)cncc2NC(=O)C(CC#N)c3cccc(c3)Cl |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4655 |
KAD-UNI-8a629cb0-14
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C[C@@H]6C[C@H]5C[C@H]6O |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4656 |
EN300-33601_4_1
|
|
CN1C[C@@H](CC1=O)C(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4657 |
MAT-POS-e9e99895-9
|
|
CC(c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)NC(=O)COc4ccc(cc4)C(=O)N |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4658 |
EN300-314455_3_1
|
|
CS(=O)(=O)[N@]1CCC[C@@H](C1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.4
± 0.4
|
6.1
± 0.3
|
| 4659 |
EN300-372748_2_1
|
|
C[C@H]1C(=O)NCCCN1C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4660 |
EN300-40888_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCC(=O)N |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4661 |
JOH-UNI-3fc3434e-2
|
|
c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2c(ccc3)C(=O)/C=C/C#N |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4662 |
EN300-95698_3_3
|
|
C[C@@H]1CC(=O)NC[C@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4663 |
EN300-6498076_1_1
|
|
Cc1c(c(=O)ccn1CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4664 |
BEN-BAS-c2bc0d80-2
|
|
c1ccc2c(c1)cncc2NC(=O)C3c4cc(ccc4N=CO3)Cl |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4665 |
EN300-140383_1_1
|
|
COC(=O)NC1CN(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4666 |
MIC-UNK-d36ab305-1
|
|
CC(=O)Nc1ccc(cc1)C(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4667 |
EN300-1239522_2_1
|
|
C[C@@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)C(=O)OC |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4668 |
EN300-70323_2_1
|
|
Cc1nnc(n1C)CNC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.4
± 0.2
|
6.1
± 0.2
|
| 4669 |
EN300-171752_2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H]5CCOC5 |
−8.4
± 0.2
|
6.1
± 0.1
|
| 4670 |
EN300-69727_1_1
|
|
CC(C)(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)OC |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4671 |
JOH-UNI-3fc3434e-3
|
|
c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2c(ccc3)CC(F)(F)F |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4672 |
EN300-35592_1_1
|
|
Cn1cc(cc1C(=O)N)C(=O)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4673 |
EN300-145616_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCc5cnc[nH]5 |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4674 |
ALP-POS-869ac754-2
|
|
c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3ccc(c4Cl)Cl |
−8.4
± 0.1
|
6.1
± 0.1
|
| 4675 |
EN300-45398_1_2
|
|
CC(C)[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NS(=O)(=O)C |
−8.4
± 0.4
|
6.1
± 0.3
|
| 4676 |
EN300-341337_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@]56CCO[C@@H]5CCOC6 |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4677 |
EN300-1265949_3_1
|
|
C[C@@H](C(=O)N1CCS(=O)(=O)CC1)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.4
± 0.4
|
6.1
± 0.3
|
| 4678 |
EN300-686903_3_1
|
|
CCCCS(=O)(=O)CC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.4
± 0.4
|
6.1
± 0.3
|
| 4679 |
EN300-370967_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCCN5CCOC5=O |
−8.4
± 0.4
|
6.1
± 0.3
|
| 4680 |
EN300-761618_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)Nc5cccnn5 |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4681 |
EN300-6729572_2_7
|
|
C[C@@H]([C@H]1C[C@H]1C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−8.4
± 0.2
|
6.1
± 0.1
|
| 4682 |
EN300-6735698_2_1
|
|
CCNC(=O)C1(CC1)NC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4683 |
EN300-1915260_4_1
|
|
COC[C@@H](COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−8.4
± 0.4
|
6.1
± 0.3
|
| 4684 |
RAL-THA-2d450e86-14
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)F |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4685 |
EN300-6481960_2_1
|
|
Cn1c(c2c(n1)CCOC2)C(=O)NC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−8.4
± 0.4
|
6.1
± 0.3
|
| 4686 |
MAT-POS-fce787c2-5
|
|
CNC(c1ccc(c(c1)Cl)Cl)C(=O)Nc2cncc3c2cccc3 |
−8.4
± 0.4
|
6.1
± 0.3
|
| 4687 |
EN300-48902_2_1
|
|
CNC(=O)[C@@H]1CCCN1C(=O)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.4
± 0.4
|
6.1
± 0.3
|
| 4688 |
EN300-736753_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@H]5CCC(=O)N5 |
−8.4
± 0.2
|
6.1
± 0.2
|
| 4689 |
DAR-DIA-0cde14eb-49
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)C4(CC4)I |
−8.4
± 0.4
|
6.1
± 0.3
|
| 4690 |
ADA-UCB-6c2cb422-1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)Cl |
−8.37
± 0.09
|
6.10
± 0.07
|
| 4691 |
EN300-7443878_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H](C5CCOCC5)O |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4692 |
BEN-BAS-c2bc0d80-5
|
|
c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3[nH]c(cc4=O)Cl |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4693 |
EN300-82179_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CC(=O)N |
−8.4
± 0.2
|
6.1
± 0.1
|
| 4694 |
RAL-THA-4aa06b95-2
|
|
c1ccc2c(c1)cncc2NC(=O)C3CCN(c4c3cc(cc4)Cl)C(=O)CO |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4695 |
EDG-MED-90036822-47
|
|
C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)N(C)C |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4696 |
EN300-379533_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC(CC5)O |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4697 |
EN300-76574_2_1
|
|
C[C@@H](CS(=O)(=O)C)NC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.4
± 0.3
|
6.1
± 0.3
|
| 4698 |
EN300-325729_1_2
|
|
COC[C@H]1COCCN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.4
± 0.3
|
6.1
± 0.2
|
| 4699 |
VLA-UCB-29506327-1
|
|
c1ccc2c(c1)cncc2N3C(=O)C4(CCOc5c4cc(cc5)Cl)NC3=O |
−8.36
± 0.09
|
6.09
± 0.07
|
| 4700 |
EN300-1440100_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5CC6(C5)CC(=O)NC6 |
−8.4
± 0.3
|
6.1
± 0.2
|