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 −12.7 ± 0.3 9.3 ± 0.2
2 LUO-POS-b5068a05-1 molecule CN(C)NC1=NC2(CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)C(=O)N1c5cncc6c5cccc6 −12.1 ± 0.5 8.8 ± 0.4
3 VLA-UNK-f702bf1c-6 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CC6CCCCC6 −11.3 ± 0.1 8.25 ± 0.09
4 MAT-POS-c2d406ed-2 molecule CN1C(=O)N(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −11.3 ± 0.2 8.2 ± 0.2
5 VLA-UNK-f702bf1c-5 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CC6CCC(=O)NC6 −11.0 ± 0.2 8.0 ± 0.1
6 VLA-UCB-34f3ed0c-14 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CC6CCCCC6 −11.0 ± 0.1 7.99 ± 0.09
7 VLA-UNK-56836b69-2 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(c(c5)Cl)Cl)NC3=O −10.92 ± 0.08 7.96 ± 0.06
8 MAT-POS-c2d406ed-4 molecule CN1C(=S)N(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −10.8 ± 0.4 7.9 ± 0.3
9 VLA-UNK-3a43cd95-1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(c(c5)F)Cl)NC3=O −10.72 ± 0.07 7.81 ± 0.05
10 VLA-UNK-f702bf1c-1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CCc6cc[nH]n6 −10.7 ± 0.1 7.79 ± 0.09
11 LUO-POS-b5068a05-2 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)N=C3NC#N −10.7 ± 0.3 7.8 ± 0.2
12 VLA-UNK-f702bf1c-4 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CC6CC(=O)NC6 −10.6 ± 0.1 7.75 ± 0.08
13 VLA-UNK-56836b69-5 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CC(=O)Nc5c4cc(c(c5)Cl)Cl)NC3=O −10.62 ± 0.09 7.74 ± 0.07
14 EDJ-MED-9f4ac58c-3 molecule CS(=O)(=O)Nc1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −10.4 ± 0.6 7.6 ± 0.4
15 VLA-UCB-34f3ed0c-11 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)NC3=O −10.38 ± 0.06 7.56 ± 0.04
16 VLA-UCB-29506327-1 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CCOc5c4cc(cc5)Cl)NC3=O −10.38 ± 0.06 7.56 ± 0.04
17 MAT-POS-2e8b2191-8 molecule CN1C(=O)N(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)C)c4cncc5c4cccc5 −10.37 ± 0.08 7.56 ± 0.06
18 VLA-MRT-8c78ee15-4 molecule c1ccc2c(c1)cncc2N3C(=O)[C@]4(CN(Cc5c4cc(cc5)Cl)CC(=O)N)NC3=O −10.4 ± 0.1 7.56 ± 0.10
19 VLA-UNK-cf7facf1-1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@]4(CCOc5c4cc(cc5)Cl)NC3=O −10.36 ± 0.06 7.55 ± 0.04
20 MAT-POS-be048f2c-8 molecule CCCn1c(ccn1)C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −10.2 ± 0.1 7.4 ± 0.1
21 EDJ-MED-fed7ac0b-3 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CN3)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −10.2 ± 0.4 7.4 ± 0.3
22 VLA-MRT-8c78ee15-1 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CNCc5c4cc(cc5)Cl)NC3=O −10.2 ± 0.2 7.4 ± 0.1
23 VLA-UNK-f702bf1c-2 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)Cc6cc[nH]n6 −10.2 ± 0.1 7.42 ± 0.08
24 EDJ-MED-8bb691af-9 molecule CNC(=O)CN1CC2(CC(=O)N(C2)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −10.2 ± 0.1 7.40 ± 0.08
25 VLA-UNK-f702bf1c-3 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)Cc6nc[nH]n6 −10.1 ± 0.1 7.39 ± 0.10
26 VLA-UNK-56836b69-3 molecule CN1C(=O)N(C(=O)[C@@]12CCOc3c2cc(c(c3)Cl)Cl)c4cncc5c4cccc5 −10.13 ± 0.09 7.38 ± 0.06
27 VLA-MRT-a639d434-1 molecule CNC(=O)CN1Cc2ccc(cc2[C@@]3(C1)C(=O)N(C(=O)N3)c4cncc5c4cccc5)Cl −10.1 ± 0.2 7.4 ± 0.1
28 EDJ-MED-7587a9ee-1 molecule CN1C(=O)N(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)C)c4cncc5c4cccc5 −10.13 ± 0.08 7.38 ± 0.06
29 EDJ-MED-8bb691af-3 molecule CNC(=O)CN1Cc2ccc(cc2C3(C1)CC(=O)N(C3)c4cncc5c4cccc5)Cl −10.1 ± 0.2 7.4 ± 0.1
30 VLA-MRT-a639d434-2 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CN(Cc5c4cc(cc5)Cl)CC(=O)N)NC3=O −10.1 ± 0.1 7.4 ± 0.1
31 JOH-MSK-1f2dff76-1 molecule CNC(=O)CN1Cc2ccc(cc2[C@@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl −10.1 ± 0.2 7.3 ± 0.2
32 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 −10.0 ± 0.3 7.3 ± 0.2
33 MAT-POS-1bed62cf-2 molecule CNC(=O)CN1CC2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.9 ± 0.1 7.24 ± 0.07
34 PET-UNK-94036022-4 molecule C#CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3[C@]4(C2)CC(=O)N(C4=O)c5cncc6c5cccc6)Cl −9.9 ± 0.2 7.2 ± 0.1
35 VLA-MRT-8c78ee15-3 molecule CNC(=O)CN1Cc2ccc(cc2[C@]3(C1)C(=O)N(C(=O)N3)c4cncc5c4cccc5)Cl −9.9 ± 0.2 7.2 ± 0.1
36 PET-UNK-94036022-11 molecule C#CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CC(=O)N(C4=O)c5cncc6c5cccc6)Cl −9.8 ± 0.2 7.2 ± 0.2
37 MAT-POS-be048f2c-5 molecule CCn1c(ccn1)C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −9.8 ± 0.1 7.17 ± 0.09
38 LUO-POS-868e8996-8 molecule CNC(=O)CN1C[C@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.8 ± 0.1 7.17 ± 0.08
39 PET-UNK-94036022-5 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl −9.7 ± 0.2 7.1 ± 0.1
40 LUO-POS-868e8996-7 molecule CNC(=O)CN1C[C@@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.7 ± 0.1 7.06 ± 0.08
41 JOH-MSK-1f2dff76-2 molecule CNC(=O)CN1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl −9.6 ± 0.2 7.0 ± 0.2
42 VLA-UNK-f702bf1c-8 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CCc6nc[nH]n6 −9.6 ± 0.2 7.0 ± 0.1
43 EDJ-MED-8bb691af-5 molecule c1ccc2c(c1)cncc2N3CC4(CC3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.6 ± 0.3 7.0 ± 0.2
44 MAT-POS-50a80394-3 molecule CC(C)C1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −9.6 ± 0.3 7.0 ± 0.3
45 MAT-POS-1bed62cf-1 molecule c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.5 ± 0.2 6.9 ± 0.2
46 MAT-POS-be048f2c-7 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)C(=O)c6ccnn6C7CC7 −9.4 ± 0.1 6.9 ± 0.1
47 PET-UNK-94036022-12 molecule c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl −9.4 ± 0.2 6.9 ± 0.1
48 MAT-POS-50a80394-2 molecule CCC1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −9.4 ± 0.3 6.8 ± 0.2
49 MAT-POS-c2d406ed-3 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)NC3=S −9.3 ± 0.2 6.8 ± 0.2
50 EDJ-MED-dfa1d800-5 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CC(C6)(F)F)c7cc(ccc7C2=O)Cl −9.3 ± 0.2 6.8 ± 0.1
51 BEN-BAS-c2bc0d80-7 molecule CN1C(=O)N(C(=O)C12CCOc3c2cc(cc3)Cl)c4cncc5c4cccc5 −9.29 ± 0.07 6.77 ± 0.05
52 VLA-UNK-3a43cd95-3 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CCOc5c4cc(c(c5)F)Cl −9.18 ± 0.06 6.69 ± 0.04
53 VLA-MRT-8c78ee15-2 molecule c1ccc2c(c1)cncc2N3C(=O)[C@]4(CNCc5c4cc(cc5)Cl)NC3=O −9.2 ± 0.2 6.7 ± 0.1
54 MAT-POS-983b399a-3 molecule c1ccc2c(c1)cncc2N3CC4(CCOc5c4cc(cc5)Cl)CC3=O −9.13 ± 0.07 6.65 ± 0.05
55 EDJ-MED-9f4ac58c-6 molecule COC1(CC1)CS(=O)(=O)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −9.1 ± 0.4 6.6 ± 0.3
56 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 −9.1 ± 0.2 6.6 ± 0.2
57 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
58 VLA-UCB-05e51b3f-5 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@]4(C3=O)CCOc5c4cc(cc5)Cl −9.07 ± 0.04 6.61 ± 0.03
59 BEN-BAS-c2bc0d80-6 molecule c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CCOc5c4cc(cc5)Cl −9.07 ± 0.04 6.61 ± 0.03
60 MAT-POS-94643566-1 molecule c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CCOc5c4cc(cc5)Cl −9.07 ± 0.04 6.61 ± 0.03
61 VLA-UNK-f702bf1c-7 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CCN6CCNCC6 −9.0 ± 0.2 6.5 ± 0.1
62 EDJ-MED-9f4ac58c-2 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −8.9 ± 0.4 6.5 ± 0.3
63 MAT-POS-576f7758-2 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −8.9 ± 0.1 6.51 ± 0.08
64 EDJ-MED-159244ea-3 molecule c1ccc2c(c1)cncc2N3C[C@@]4(CCOc5c4cc(cc5)Cl)CC3=O −8.89 ± 0.08 6.48 ± 0.06
65 EDJ-MED-98c0a822-3 molecule CNC(=O)C1(CCC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −8.9 ± 0.2 6.5 ± 0.2
66 EDJ-MED-9f4ac58c-8 molecule COC1(CC1)CS(=O)(=O)N2CC3(CCN(C3=O)c4cncc5c4ccc(c5)S(=O)(=O)C)c6cc(ccc6C2=O)Cl −8.8 ± 0.5 6.4 ± 0.3
67 MAT-POS-90505e2b-1 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CCOc5c4cc(cc5)Cl)OC3=O −8.81 ± 0.05 6.42 ± 0.03
68 EDJ-MED-dfa1d800-1 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CCCC6)c7cc(ccc7C2=O)Cl −8.7 ± 0.3 6.3 ± 0.2
69 MAT-POS-ec6d90b7-1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)OC3=O −8.67 ± 0.05 6.32 ± 0.03
70 MAT-POS-1bed62cf-3 molecule CNC(=O)CN1Cc2ccc(cc2C3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl −8.7 ± 0.2 6.3 ± 0.1
71 EDJ-MED-cc48ee33-5 molecule Cc1cc(n(n1)C)C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −8.7 ± 0.1 6.3 ± 0.1
72 MAT-POS-ec6d90b7-2 molecule c1ccc2c(c1)cncc2N3C(=O)[C@]4(CCOc5c4cc(cc5)Cl)OC3=O −8.66 ± 0.05 6.31 ± 0.03
73 EDJ-MED-9f4ac58c-5 molecule COC1(CC1)CS(=O)(=O)N2CC3(CCN(C3=O)c4cncc5c4ccc(c5)Cl)c6cc(ccc6C2=O)Cl −8.5 ± 0.4 6.2 ± 0.3
74 EDJ-MED-468565e0-5 molecule c1cc2cncc(c2cc1OCCN3CC(C3)(F)F)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −8.4 ± 0.4 6.1 ± 0.3
75 VLA-MRT-a639d434-3 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CNCc5c4cc(cc5)Cl)NC3=O −8.4 ± 0.2 6.1 ± 0.1
76 MAT-POS-853c0ffa-9 molecule CN(C)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −8.4 ± 0.4 6.1 ± 0.3
77 EDJ-MED-5cd3920d-3 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OC(F)F)c6cc(ccc6C2=O)Cl −8.4 ± 0.1 6.1 ± 0.1
78 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 ± 0.9 6.1 ± 0.6
79 EDJ-MED-7e491f08-2 molecule CNC(=O)C1(CC1)N2C[C@]3(c4cc(ccc4C2=O)Cl)C(=O)N(CC3(F)F)c5cncc6c5cccc6 −8.3 ± 0.2 6.1 ± 0.1
80 ALP-POS-ecbed2ba-16 molecule CN(CCC#N)S(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −8.3 ± 0.5 6.0 ± 0.4
81 MAT-POS-50a80394-1 molecule CC1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −8.3 ± 0.4 6.0 ± 0.3
82 EDJ-MED-cc48ee33-2 molecule Cn1c(ccn1)C(=O)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −8.3 ± 0.1 6.0 ± 0.1
83 PET-UNK-aa57768f-7 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nnco6 −8.2 ± 0.1 5.99 ± 0.08
84 EDJ-MED-dfa1d800-3 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CCS(=O)(=O)CC6)c7cc(ccc7C2=O)Cl −8.1 ± 0.3 5.9 ± 0.2
85 EDJ-MED-dfa1d800-2 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CCOCC6)c7cc(ccc7C2=O)Cl −8.1 ± 0.3 5.9 ± 0.2
86 JOH-MSK-1f2dff76-4 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CNCc5c4cc(cc5)Cl −8.1 ± 0.2 5.9 ± 0.1
87 EDJ-MED-b6c6ee2b-5 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)OCCN(C)C)c5cc(ccc5C1=O)Cl −8.0 ± 0.2 5.9 ± 0.2
88 JOH-MSK-51c67e7d-2 molecule CN1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl −8.04 ± 0.08 5.86 ± 0.06
89 VLA-UCB-34f3ed0c-15 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CN6CCNCC6 −8.0 ± 0.3 5.8 ± 0.2
90 ALP-POS-ecbed2ba-20 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)N6CCC6 −7.9 ± 0.7 5.8 ± 0.5
91 EDG-MED-b1ef7fe3-1 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)Cl)c5cc(ccc5C1=O)Cl −7.9 ± 0.1 5.75 ± 0.10
92 EDJ-MED-fed7ac0b-2 molecule CNC(=O)C1(CC1)N2CC3(CNN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −7.9 ± 0.1 5.8 ± 0.1
93 ALP-POS-ecbed2ba-10 molecule COC1CN(C1)S(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −7.9 ± 0.7 5.8 ± 0.5
94 EDJ-MED-cc48ee33-4 molecule Cc1cnn(c1C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl)C −7.9 ± 0.2 5.7 ± 0.1
95 EDJ-MED-976a33d5-2 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4ccc(c5)S(=O)(=O)C)c6cc(ccc6C2=O)Cl −7.8 ± 0.2 5.7 ± 0.1
96 ALP-POS-ecbed2ba-18 molecule CCN(C)S(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −7.8 ± 0.4 5.7 ± 0.3
97 MAT-POS-40ad851a-2 molecule CCN(C)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −7.8 ± 0.4 5.7 ± 0.3
98 PET-UNK-aa57768f-1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nnco6 −7.8 ± 0.1 5.7 ± 0.1
99 LUO-POS-ed2cfb03-1 molecule CN1CCN(CC1)S(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −7.8 ± 0.5 5.7 ± 0.4
100 MAT-POS-40ad851a-4 molecule CN(C)CCCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −7.8 ± 0.5 5.6 ± 0.4
Last updated 2022-01-08T06:28:24.208501+00:00
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