Compounds

Showing 1 through 100 of 290
Rank Compound SMILES ΔG / kcal M-1 pIC50
1 MAT-POS-c2d406ed-1 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)NC3=O −12.0 ± 0.2 8.8 ± 0.1
2 VLA-UNK-f702bf1c-5 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CC6CCC(=O)NC6 −11.2 ± 0.1 8.17 ± 0.09
3 MAT-POS-c2d406ed-2 molecule CN1C(=O)N(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −11.1 ± 0.2 8.1 ± 0.2
4 MAT-POS-c2d406ed-4 molecule CN1C(=S)N(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −11.1 ± 0.2 8.1 ± 0.1
5 VLA-UNK-56836b69-2 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(c(c5)Cl)Cl)NC3=O −11.05 ± 0.09 8.05 ± 0.07
6 VLA-UNK-f702bf1c-6 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CC6CCCCC6 −11.0 ± 0.2 8.0 ± 0.1
7 VLA-UNK-f702bf1c-1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CCc6cc[nH]n6 −10.9 ± 0.1 7.97 ± 0.10
8 VLA-UNK-56836b69-5 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CC(=O)Nc5c4cc(c(c5)Cl)Cl)NC3=O −10.9 ± 0.1 7.96 ± 0.08
9 VLA-UCB-34f3ed0c-14 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CC6CCCCC6 −10.9 ± 0.2 7.9 ± 0.1
10 MAT-POS-c2d406ed-3 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)NC3=S −10.8 ± 0.2 7.9 ± 0.2
11 VLA-MRT-8c78ee15-3 molecule CNC(=O)CN1Cc2ccc(cc2[C@]3(C1)C(=O)N(C(=O)N3)c4cncc5c4cccc5)Cl −10.8 ± 0.2 7.9 ± 0.1
12 VLA-UNK-3a43cd95-1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(c(c5)F)Cl)NC3=O −10.76 ± 0.08 7.84 ± 0.06
13 VLA-UCB-34f3ed0c-11 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)NC3=O −10.50 ± 0.07 7.65 ± 0.05
14 MAT-POS-2e8b2191-8 molecule CN1C(=O)N(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)C)c4cncc5c4cccc5 −10.42 ± 0.09 7.59 ± 0.07
15 EDJ-MED-8bb691af-5 molecule c1ccc2c(c1)cncc2N3CC4(CC3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −10.4 ± 0.4 7.6 ± 0.3
16 LUO-POS-868e8996-9 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −10.3 ± 0.2 7.5 ± 0.2
17 VLA-UNK-cf7facf1-1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@]4(CCOc5c4cc(cc5)Cl)NC3=O −10.33 ± 0.07 7.53 ± 0.05
18 EDJ-MED-7587a9ee-1 molecule CN1C(=O)N(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)C)c4cncc5c4cccc5 −10.32 ± 0.09 7.52 ± 0.06
19 VLA-UCB-29506327-1 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CCOc5c4cc(cc5)Cl)NC3=O −10.27 ± 0.07 7.48 ± 0.05
20 VLA-MRT-a639d434-2 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CN(Cc5c4cc(cc5)Cl)CC(=O)N)NC3=O −10.3 ± 0.2 7.5 ± 0.1
21 VLA-MRT-8c78ee15-4 molecule c1ccc2c(c1)cncc2N3C(=O)[C@]4(CN(Cc5c4cc(cc5)Cl)CC(=O)N)NC3=O −10.2 ± 0.1 7.4 ± 0.1
22 MAT-POS-1bed62cf-2 molecule CNC(=O)CN1CC2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −10.0 ± 0.1 7.29 ± 0.08
23 VLA-UNK-f702bf1c-8 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CCc6nc[nH]n6 −10.0 ± 0.2 7.3 ± 0.1
24 MAT-POS-be048f2c-8 molecule CCCn1c(ccn1)C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −10.0 ± 0.2 7.3 ± 0.1
25 LUO-POS-868e8996-10 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −10.0 ± 0.2 7.3 ± 0.2
26 VLA-UNK-f702bf1c-4 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CC6CC(=O)NC6 −9.9 ± 0.1 7.24 ± 0.08
27 VLA-UNK-f702bf1c-2 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)Cc6cc[nH]n6 −9.9 ± 0.1 7.24 ± 0.09
28 EDJ-MED-9f4ac58c-5 molecule COC1(CC1)CS(=O)(=O)N2CC3(CCN(C3=O)c4cncc5c4ccc(c5)Cl)c6cc(ccc6C2=O)Cl −9.9 ± 0.3 7.2 ± 0.2
29 VLA-UNK-56836b69-3 molecule CN1C(=O)N(C(=O)[C@@]12CCOc3c2cc(c(c3)Cl)Cl)c4cncc5c4cccc5 −9.9 ± 0.1 7.20 ± 0.08
30 PET-UNK-94036022-5 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl −9.9 ± 0.2 7.2 ± 0.1
31 EDJ-MED-9f4ac58c-4 molecule CS(=O)(=O)c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.8 ± 0.4 7.2 ± 0.3
32 EDJ-MED-9f4ac58c-8 molecule COC1(CC1)CS(=O)(=O)N2CC3(CCN(C3=O)c4cncc5c4ccc(c5)S(=O)(=O)C)c6cc(ccc6C2=O)Cl −9.8 ± 0.4 7.2 ± 0.3
33 VLA-MRT-a639d434-1 molecule CNC(=O)CN1Cc2ccc(cc2[C@@]3(C1)C(=O)N(C(=O)N3)c4cncc5c4cccc5)Cl −9.8 ± 0.2 7.2 ± 0.1
34 LUO-POS-868e8996-7 molecule CNC(=O)CN1C[C@@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.8 ± 0.1 7.15 ± 0.09
35 VLA-UNK-f702bf1c-3 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)Cc6nc[nH]n6 −9.8 ± 0.1 7.13 ± 0.10
36 LUO-POS-868e8996-8 molecule CNC(=O)CN1C[C@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.7 ± 0.1 7.09 ± 0.09
37 MAT-POS-1bed62cf-1 molecule c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.7 ± 0.3 7.1 ± 0.2
38 PET-UNK-94036022-11 molecule C#CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CC(=O)N(C4=O)c5cncc6c5cccc6)Cl −9.7 ± 0.2 7.0 ± 0.1
39 BEN-BAS-c2bc0d80-7 molecule CN1C(=O)N(C(=O)C12CCOc3c2cc(cc3)Cl)c4cncc5c4cccc5 −9.58 ± 0.08 6.98 ± 0.06
40 JOH-MSK-1f2dff76-1 molecule CNC(=O)CN1Cc2ccc(cc2[C@@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl −9.6 ± 0.2 7.0 ± 0.2
41 PET-UNK-94036022-12 molecule c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl −9.5 ± 0.2 6.9 ± 0.2
42 EDJ-MED-8bb691af-9 molecule CNC(=O)CN1CC2(CC(=O)N(C2)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.5 ± 0.1 6.9 ± 0.1
43 EDJ-MED-8bb691af-3 molecule CNC(=O)CN1Cc2ccc(cc2C3(C1)CC(=O)N(C3)c4cncc5c4cccc5)Cl −9.4 ± 0.2 6.9 ± 0.1
44 MAT-POS-40ad851a-3 molecule CCN(CC)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.4 ± 0.5 6.8 ± 0.4
45 PET-UNK-94036022-4 molecule C#CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3[C@]4(C2)CC(=O)N(C4=O)c5cncc6c5cccc6)Cl −9.4 ± 0.2 6.8 ± 0.1
46 MAT-POS-1bed62cf-3 molecule CNC(=O)CN1Cc2ccc(cc2C3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl −9.3 ± 0.1 6.77 ± 0.10
47 LUO-POS-b5068a05-2 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)N=C3NC#N −9.3 ± 0.3 6.8 ± 0.2
48 MAT-POS-50a80394-2 molecule CCC1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −9.2 ± 0.4 6.7 ± 0.3
49 VLA-MRT-8c78ee15-1 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CNCc5c4cc(cc5)Cl)NC3=O −9.2 ± 0.2 6.7 ± 0.1
50 EDJ-MED-dfa1d800-3 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CCS(=O)(=O)CC6)c7cc(ccc7C2=O)Cl −9.2 ± 0.3 6.7 ± 0.2
51 BEN-BAS-c2bc0d80-6 molecule c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CCOc5c4cc(cc5)Cl −9.13 ± 0.05 6.65 ± 0.04
52 VLA-UCB-05e51b3f-5 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@]4(C3=O)CCOc5c4cc(cc5)Cl −9.08 ± 0.04 6.61 ± 0.03
53 VLA-UCB-50c39ae8-2 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CCOc5c4cc(cc5)Cl −9.07 ± 0.04 6.61 ± 0.03
54 VLA-MRT-a639d434-3 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CNCc5c4cc(cc5)Cl)NC3=O −9.1 ± 0.2 6.6 ± 0.2
55 MAT-POS-94643566-1 molecule c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CCOc5c4cc(cc5)Cl −9.04 ± 0.04 6.59 ± 0.03
56 EDJ-MED-dfa1d800-5 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CC(C6)(F)F)c7cc(ccc7C2=O)Cl −8.9 ± 0.2 6.5 ± 0.2
57 VLA-UNK-3a43cd95-3 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CCOc5c4cc(c(c5)F)Cl −8.93 ± 0.06 6.50 ± 0.04
58 MAT-POS-983b399a-3 molecule c1ccc2c(c1)cncc2N3CC4(CCOc5c4cc(cc5)Cl)CC3=O −8.92 ± 0.09 6.50 ± 0.06
59 VLA-MRT-8c78ee15-2 molecule c1ccc2c(c1)cncc2N3C(=O)[C@]4(CNCc5c4cc(cc5)Cl)NC3=O −8.9 ± 0.2 6.5 ± 0.1
60 MAT-POS-90505e2b-1 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CCOc5c4cc(cc5)Cl)OC3=O −8.88 ± 0.05 6.47 ± 0.04
61 MAT-POS-ec6d90b7-2 molecule c1ccc2c(c1)cncc2N3C(=O)[C@]4(CCOc5c4cc(cc5)Cl)OC3=O −8.88 ± 0.06 6.47 ± 0.04
62 VLA-UNK-f702bf1c-7 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CCN6CCNCC6 −8.8 ± 0.3 6.4 ± 0.2
63 EDJ-MED-98c0a822-3 molecule CNC(=O)C1(CCC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −8.8 ± 0.2 6.4 ± 0.2
64 MAT-POS-ec6d90b7-1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)OC3=O −8.67 ± 0.06 6.32 ± 0.04
65 JOH-MSK-1f2dff76-2 molecule CNC(=O)CN1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl −8.6 ± 0.1 6.3 ± 0.1
66 EDJ-MED-159244ea-3 molecule c1ccc2c(c1)cncc2N3C[C@@]4(CCOc5c4cc(cc5)Cl)CC3=O −8.6 ± 0.1 6.26 ± 0.09
67 EDJ-MED-b6c6ee2b-5 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)OCCN(C)C)c5cc(ccc5C1=O)Cl −8.6 ± 0.3 6.2 ± 0.2
68 EDJ-MED-5cd3920d-3 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OC(F)F)c6cc(ccc6C2=O)Cl −8.6 ± 0.2 6.2 ± 0.1
69 MAT-POS-be048f2c-5 molecule CCn1c(ccn1)C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −8.5 ± 0.2 6.2 ± 0.1
70 EDJ-MED-976a33d5-1 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −8.5 ± 0.1 6.2 ± 0.1
71 EDJ-MED-b6c6ee2b-3 molecule COc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −8.4 ± 0.3 6.2 ± 0.2
72 MAT-POS-40ad851a-1 molecule CN1CCCC1COc2ccc3cncc(c3c2)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −8.4 ± 0.3 6.1 ± 0.2
73 PET-UNK-94036022-2 molecule C#CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −8.4 ± 0.4 6.1 ± 0.3
74 EDJ-MED-ee81482e-3 molecule CN(C)CC(COc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)O −8.3 ± 0.7 6.1 ± 0.5
75 PET-UNK-aa57768f-7 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nnco6 −8.3 ± 0.1 6.06 ± 0.10
76 MAT-POS-38eb6498-6 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)C(=O)NC)c5cc(ccc5C1=O)Cl −8.3 ± 0.1 6.0 ± 0.1
77 EDJ-MED-9f4ac58c-7 molecule COC1(CC1)CS(=O)(=O)N2CC3(CCN(C3=O)c4cncc5c4ccc(c5)NS(=O)(=O)C)c6cc(ccc6C2=O)Cl −8.3 ± 0.4 6.0 ± 0.3
78 EDJ-MED-468565e0-2 molecule c1cc2cncc(c2cc1OCCN3CCOCC3)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −8.2 ± 0.7 6.0 ± 0.5
79 EDJ-MED-cc48ee33-2 molecule Cn1c(ccn1)C(=O)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −8.2 ± 0.2 6.0 ± 0.1
80 MAT-POS-50a80394-3 molecule CC(C)C1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −8.2 ± 0.3 6.0 ± 0.2
81 EDJ-MED-5cd3920d-4 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)C(F)F)c6cc(ccc6C2=O)Cl −8.2 ± 0.2 6.0 ± 0.1
82 ALP-POS-ecbed2ba-4 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −8.2 ± 0.4 6.0 ± 0.3
83 EDJ-MED-9f4ac58c-1 molecule c1cc2c(cc1Cl)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −8.1 ± 0.4 5.9 ± 0.3
84 PET-UNK-aa57768f-1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nnco6 −8.1 ± 0.2 5.9 ± 0.1
85 EDJ-MED-fed7ac0b-2 molecule CNC(=O)C1(CC1)N2CC3(CNN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −8.1 ± 0.1 5.9 ± 0.1
86 EDJ-MED-b6c6ee2b-7 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)F)c6cc(ccc6C2=O)Cl −8.1 ± 0.2 5.9 ± 0.1
87 PET-UNK-14142a25-1 molecule CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −8.1 ± 0.1 5.87 ± 0.10
88 MAT-POS-be048f2c-6 molecule CC(C)n1c(ccn1)C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −8.0 ± 0.3 5.9 ± 0.2
89 EDJ-MED-ee81482e-2 molecule CN1CC(C1)Oc2ccc3cncc(c3c2)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −8.0 ± 0.3 5.8 ± 0.2
90 EDJ-MED-7e491f08-2 molecule CNC(=O)C1(CC1)N2C[C@]3(c4cc(ccc4C2=O)Cl)C(=O)N(CC3(F)F)c5cncc6c5cccc6 −8.0 ± 0.2 5.8 ± 0.1
91 JOH-MSK-51c67e7d-1 molecule CN1Cc2ccc(cc2[C@@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl −7.96 ± 0.10 5.80 ± 0.07
92 EDJ-MED-cc48ee33-7 molecule Cn1c(ccn1)CN2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −7.9 ± 0.2 5.8 ± 0.2
93 MAT-POS-38eb6498-4 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)OCCN(C)C)c5cc(ccc5C1=O)Cl −7.9 ± 0.3 5.8 ± 0.2
94 JOH-MSK-1f2dff76-3 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@]4(C3=O)CNCc5c4cc(cc5)Cl −7.9 ± 0.2 5.8 ± 0.1
95 LUO-POS-8c3e556a-1 molecule CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(cc4)Cl)c5cc(ccc5C1=O)Cl −7.9 ± 0.1 5.74 ± 0.10
96 LUO-POS-8484f2d3-2 molecule CN(C)CCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −7.9 ± 0.6 5.7 ± 0.4
97 JOH-MSK-51c67e7d-2 molecule CN1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl −7.83 ± 0.09 5.71 ± 0.07
98 EDJ-MED-fed7ac0b-1 molecule CNC(=O)CN1CC2(CNN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −7.8 ± 0.2 5.7 ± 0.1
99 EDJ-MED-b6c6ee2b-4 molecule c1cc2cncc(c2cc1Cl)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −7.8 ± 0.3 5.7 ± 0.2
100 MAT-POS-576f7758-2 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −7.8 ± 0.2 5.7 ± 0.1
Last updated 2022-01-08T06:37:21.173141+00:00
Generated by fah-xchem version pre-sprint-5+122.gaf80f5c