Rank |
Compound |
SMILES |
ΔG / kcal M-1 |
pIC50 |
4701 |
EN300-311920_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@]5(CCS(=O)(=O)C5)F |
−8.4
± 0.4
|
6.1
± 0.3
|
4702 |
EN300-741926_1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]([C@@H](C5)F)O |
−8.4
± 0.3
|
6.1
± 0.2
|
4703 |
EDG-MED-971238d3-1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)O |
−8.4
± 0.1
|
6.09
± 0.08
|
4704 |
EN300-72211_4_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H](C5CC5)O |
−8.4
± 0.4
|
6.1
± 0.3
|
4705 |
EN300-100700_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H](NC(=O)C5)CO |
−8.4
± 0.3
|
6.1
± 0.2
|
4706 |
EN300-253187_2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@H]5COCO5 |
−8.4
± 0.3
|
6.1
± 0.2
|
4707 |
ALF-EVA-5b152d2f-7
|
|
c1cc2cncc(c2cc1C3CCC3)NC(=O)[C@@H]4CCOc5c4cc(cc5)Cl |
−8.36
± 0.08
|
6.09
± 0.05
|
4708 |
EN300-22879_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)N5CCCC[C@@H]5C(=O)N |
−8.4
± 0.3
|
6.1
± 0.2
|
4709 |
EN300-250120_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5CCS(=O)(=O)CC5 |
−8.4
± 0.3
|
6.1
± 0.2
|
4710 |
MAT-POS-e9e99895-4
|
|
CC(c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)NC(=O)c4cc(n(n4)C)C#N |
−8.4
± 0.3
|
6.1
± 0.2
|
4711 |
RAL-THA-2d450e86-29
|
|
COc1ccc(cc1CC(=O)Nc2cncc3c2cccc3)Cl |
−8.4
± 0.3
|
6.1
± 0.2
|
4712 |
MAT-POS-bbbbc21a-1
|
|
COc1ccc(cc1CC(=O)Nc2cncc3c2cccc3)Cl |
−8.4
± 0.2
|
6.1
± 0.2
|
4713 |
DAR-DIA-0d514e7d-26
|
|
C[C@@H]1COc2c(cc(cc2OC)Cl)[C@]1(C)C(=O)Nc3cncc4c3cccc4 |
−8.4
± 0.3
|
6.1
± 0.2
|
4714 |
EN300-60049_1_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@H]5C[N@H+]6CCC[C@H]6CO5 |
−8.4
± 0.4
|
6.1
± 0.3
|
4715 |
EN300-258477_2_1
|
|
C[C@@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC |
−8.3
± 0.2
|
6.1
± 0.2
|
4716 |
EDJ-MED-ee07cf00-14
|
|
c1ccc2c(c1)cncc2NC(=O)C(c3cccc(c3)Cl)NC(=O)Cn4c(=O)c(=O)n5c(n4)CCC5 |
−8.3
± 0.4
|
6.1
± 0.3
|
4717 |
ED_-GRI-5b13fbe2-36
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCC(c5cn(nn5)CC6CC6)N |
−8.3
± 0.3
|
6.1
± 0.2
|
4718 |
EN300-151756_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6c(cn5)nc[nH]c6=O |
−8.3
± 0.3
|
6.1
± 0.2
|
4719 |
EN300-99391_2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CO[C@H]5CCOC5 |
−8.3
± 0.3
|
6.1
± 0.2
|
4720 |
EN300-132615_3_1
|
|
C[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)N |
−8.3
± 0.3
|
6.1
± 0.2
|
4721 |
EN300-1699871_1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5CCS(=O)(=O)N5 |
−8.3
± 0.3
|
6.1
± 0.2
|
4722 |
EN300-6482296_2_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CO[C@H]6[C@@H]5COC6 |
−8.3
± 0.4
|
6.1
± 0.3
|
4723 |
EN300-7463161_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5CC(C5)n6cnnc6 |
−8.3
± 0.3
|
6.1
± 0.2
|
4724 |
EN300-261210_2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@]5(CCOC5)C#N |
−8.3
± 0.3
|
6.1
± 0.3
|
4725 |
EN300-1238839_2_1
|
|
CS(=O)(=O)NCCOC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.3
± 0.2
|
6.1
± 0.1
|
4726 |
EN300-111006_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccncn5 |
−8.3
± 0.2
|
6.1
± 0.2
|
4727 |
EN300-77464_4_1
|
|
C[C@H](C(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−8.3
± 0.3
|
6.1
± 0.2
|
4728 |
EN300-187060_1_1
|
|
Cn1nc(nn1)CNC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.3
± 0.3
|
6.1
± 0.2
|
4729 |
EN300-249764_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H](C5CCC5)O |
−8.3
± 0.3
|
6.1
± 0.3
|
4730 |
EN300-7443878_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H](C5CCOCC5)O |
−8.3
± 0.4
|
6.1
± 0.3
|
4731 |
EN300-317555_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC5[NH2+]CCO5 |
−8.3
± 0.3
|
6.1
± 0.2
|
4732 |
EN300-325737_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c6ccccn6nn5 |
−8.3
± 0.2
|
6.1
± 0.2
|
4733 |
RAL-THA-2d450e86-28
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(ccc3C#N)Cl |
−8.3
± 0.3
|
6.1
± 0.2
|
4734 |
EDJ-MED-e4b030d8-8
|
|
Cc1c(ccc2c1[C@@H](CCO2)C(=O)Nc3cncc4c3cccc4)Cl |
−8.33
± 0.07
|
6.07
± 0.05
|
4735 |
EDJ-MED-40433386-1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5COCCN5CC(F)(F)F |
−8.3
± 0.2
|
6.1
± 0.2
|
4736 |
MAK-UNK-c749d764-26
|
|
c1ccc2c(c1)cncc2NC(=O)CC3CCCCC(C3O)Cl |
−8.3
± 0.2
|
6.1
± 0.1
|
4737 |
DAR-DIA-0d514e7d-19
|
|
C[C@H]1COc2c(cc(cc2OC(C)(C)C)Cl)[C@@H]1C(=O)Nc3cncc4c3cccc4 |
−8.3
± 0.2
|
6.1
± 0.1
|
4738 |
RAL-THA-2d450e86-24
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(ccc3Cl)Cl |
−8.3
± 0.2
|
6.1
± 0.2
|
4739 |
EN300-27341_3_1
|
|
CS(=O)(=O)[N@]1CCC[C@@H](C1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.3
± 0.4
|
6.1
± 0.3
|
4740 |
KAD-UNI-80f122c8-3
|
|
c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC6CS(=O)(=O)CC6C5 |
−8.3
± 0.2
|
6.1
± 0.1
|
4741 |
EN300-35450_1_1
|
|
CC(C)N(CC(=O)N)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.3
± 0.2
|
6.1
± 0.2
|
4742 |
EN300-65978_3_1
|
|
Cn1cc(cn1)CN(C)C(=O)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.3
± 0.5
|
6.1
± 0.3
|
4743 |
MAT-POS-5d65ec79-1
|
|
CN(C)C(=O)CC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.3
± 0.2
|
6.1
± 0.1
|
4744 |
EN300-97758_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CCF |
−8.3
± 0.3
|
6.1
± 0.2
|
4745 |
MAT-POS-8a69d52e-2
|
|
C[C@@H]1C[C@@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.32
± 0.09
|
6.06
± 0.07
|
4746 |
EN300-6479181_2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CC[C@@H]6N5C(=O)CC6 |
−8.3
± 0.2
|
6.1
± 0.2
|
4747 |
EN300-741822_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CC[C@H]([C@H](C5)O)O |
−8.3
± 0.3
|
6.1
± 0.2
|
4748 |
EN300-73582_1_1
|
|
CCS(=O)(=O)NCCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.3
± 0.3
|
6.1
± 0.3
|
4749 |
EN300-135735_1_1
|
|
CN(CCn1cncn1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.3
± 0.3
|
6.1
± 0.2
|
4750 |
EN300-219020_2_1
|
|
Cn1ncc(n1)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.3
± 0.3
|
6.1
± 0.2
|
4751 |
RAL-THA-2d450e86-8
|
|
Cc1ccc(cc1Cl)CC(=O)Nc2cncc3c2cccc3 |
−8.3
± 0.3
|
6.1
± 0.2
|
4752 |
EN300-70064_4_1
|
|
CNC(=O)C1(CCC1)C(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.3
± 0.4
|
6.1
± 0.3
|
4753 |
EDJ-MED-e4b030d8-5
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4C5COC5)Cl |
−8.3
± 0.2
|
6.1
± 0.1
|
4754 |
EN300-68794_2_1
|
|
CS(=O)(=O)CCCOC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.3
± 0.2
|
6.1
± 0.1
|
4755 |
EN300-1262608_2_1
|
|
CCNC(=O)C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.3
± 0.3
|
6.1
± 0.2
|
4756 |
RAL-THA-8416115c-5
|
|
c1ccc2c(c1)cncc2NC(=O)C3CCN(c4c3cc(cc4)Cl)Cc5[nH]ccn5 |
−8.3
± 0.2
|
6.1
± 0.2
|
4757 |
EN300-23214_3_2
|
|
CCCNC(=O)[C@H](C)NC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.3
± 0.3
|
6.1
± 0.2
|
4758 |
MAK-UNK-c749d764-4
|
|
CSC1CCCC(C1O)CC(=O)Nc2cncc3c2cccc3 |
−8.3
± 0.2
|
6.1
± 0.1
|
4759 |
EN300-36158_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5COCCO5 |
−8.3
± 0.3
|
6.1
± 0.2
|
4760 |
EN300-71126_1_1
|
|
Cc1nnc2n1CCN(C2)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−8.3
± 0.3
|
6.1
± 0.2
|
4761 |
EDJ-MED-00c1612e-1
|
|
COc1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)Cl |
−8.31
± 0.09
|
6.05
± 0.07
|
4762 |
EN300-37077_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccn[nH]5 |
−8.3
± 0.3
|
6.1
± 0.2
|
4763 |
EN300-65839_4_1
|
|
CC[C@@H](C(=O)N)OCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.3
± 0.4
|
6.0
± 0.3
|
4764 |
MAT-POS-66a736cf-1
|
|
c1ccc2c(c1)cncc2NC(=O)C3CCS(=O)(=O)c4c3cc(cc4)Cl |
−8.3
± 0.3
|
6.0
± 0.2
|
4765 |
EN300-217107_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CC[C@@H]5C(=O)N |
−8.3
± 0.2
|
6.0
± 0.1
|
4766 |
ALP-UNI-76695c4f-2
|
|
Cn1c(nnn1)C2CCN(CC2)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−8.3
± 0.4
|
6.0
± 0.3
|
4767 |
ED_-GRI-5b13fbe2-62
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCOCCOC5CNC5 |
−8.3
± 0.3
|
6.0
± 0.2
|
4768 |
ALF-EVA-0b412456-3
|
|
Cc1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)OC4CC(=O)N4 |
−8.3
± 0.3
|
6.0
± 0.2
|
4769 |
EN300-260262_1_1
|
|
Cn1cc(nn1)CCNC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.3
± 0.3
|
6.0
± 0.2
|
4770 |
EN300-100689_3_2
|
|
CC(=O)N1CCO[C@H](C1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.3
± 0.3
|
6.0
± 0.2
|
4771 |
MAT-POS-e69ad64a-3
|
|
C=CC(=O)N(c1cncc2c1cccc2)C(=O)Cc3ccc(c(c3)Cl)Cl |
−8.3
± 0.3
|
6.0
± 0.2
|
4772 |
ED_-GRI-5b13fbe2-29
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCOCCOCCN |
−8.3
± 0.5
|
6.0
± 0.4
|
4773 |
EN300-113507_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C(=O)N |
−8.3
± 0.2
|
6.0
± 0.1
|
4774 |
EN300-331476_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H]5COC[C@@H]5O |
−8.3
± 0.3
|
6.0
± 0.2
|
4775 |
RAL-THA-2d450e86-6
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3ccc(c(c3)Cl)F |
−8.3
± 0.2
|
6.0
± 0.2
|
4776 |
EN300-7444533_2_2
|
|
C[C@H]1C[C@@H](C(=O)O1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.3
± 0.3
|
6.0
± 0.2
|
4777 |
EN300-60330_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN6[C@@H](C5)CCC6=O |
−8.3
± 0.3
|
6.0
± 0.2
|
4778 |
EN300-35642_1_1
|
|
C[N@@](CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)C |
−8.3
± 0.4
|
6.0
± 0.3
|
4779 |
EN300-1725538_3_1
|
|
Cn1cc(nc1)C[C@@H](C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−8.3
± 0.3
|
6.0
± 0.2
|
4780 |
EN300-2008120_1_1
|
|
C[C@H]1[C@H](CCN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−8.3
± 0.2
|
6.0
± 0.1
|
4781 |
RAL-THA-8416115c-1
|
|
c1ccc(cc1)CN2CCC(c3c2ccc(c3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.3
± 0.2
|
6.0
± 0.2
|
4782 |
EN300-113234_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H]5CC(=O)OC5 |
−8.3
± 0.3
|
6.0
± 0.2
|
4783 |
EN300-6494158_4_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@H]5C[C@@H](CO5)CO |
−8.3
± 0.4
|
6.0
± 0.3
|
4784 |
EN300-247428_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cn(nn5)CC6CC6 |
−8.3
± 0.3
|
6.0
± 0.2
|
4785 |
EN300-321110_2_1
|
|
C[C@@H]1[C@@H](CCS1(=O)=O)NC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.3
± 0.3
|
6.0
± 0.2
|
4786 |
EN300-254105_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H](CO)[C@@H]5CCCOC5 |
−8.3
± 0.4
|
6.0
± 0.3
|
4787 |
EN300-90206_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C[C@H]6C[C@@H](C5)C6O |
−8.3
± 0.3
|
6.0
± 0.2
|
4788 |
EN300-259063_2_2
|
|
CC(=O)N1CCC[C@](C1)(CC(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−8.3
± 0.3
|
6.0
± 0.2
|
4789 |
RAL-THA-2d450e86-25
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(ccc3F)Cl |
−8.3
± 0.3
|
6.0
± 0.2
|
4790 |
RAL-THA-05e671eb-25
|
|
c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cn4)Cl |
−8.3
± 0.2
|
6.0
± 0.2
|
4791 |
EN300-96175_1_1
|
|
CC(C)(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)N5CCOC5=O |
−8.3
± 0.5
|
6.0
± 0.4
|
4792 |
DAR-DIA-0d514e7d-26_1
|
|
C[C@@H]1COc2c(cc(cc2OC)Cl)[C@]1(C)C(=O)Nc3cncc4c3cccc4 |
−8.3
± 0.3
|
6.0
± 0.2
|
4793 |
EN300-104746_2_1
|
|
CC[C@@](C)(C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−8.3
± 0.3
|
6.0
± 0.2
|
4794 |
EN300-342226_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)Cc5cnc[nH]5 |
−8.3
± 0.3
|
6.0
± 0.2
|
4795 |
MAT-POS-e9e99895-8
|
|
Cc1nc2n(n1)CC(CC2)C(=O)NC(C)(c3ccc(c(c3)Cl)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.3
± 0.2
|
6.0
± 0.2
|
4796 |
EN300-1425677_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@]5(CCCO5)CO |
−8.3
± 0.4
|
6.0
± 0.3
|
4797 |
EN300-154168_1_1
|
|
COCCN1CCCN(CC1=O)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.3
± 0.3
|
6.0
± 0.2
|
4798 |
EN300-224499_2_1
|
|
CCc1nc([nH]n1)CNC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.3
± 0.3
|
6.0
± 0.2
|
4799 |
EN300-6764836_2_5
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5C[C@H]6[C@@H]([C@H]([C@@H]5O6)O)O |
−8.3
± 0.3
|
6.0
± 0.2
|
4800 |
EN300-7448078_1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC6(CC5)[C@H](C[C@@H]6O)O |
−8.3
± 0.3
|
6.0
± 0.2
|