Compounds

Showing 1 through 100 of 290
Rank Compound SMILES ΔG / kcal M-1 pIC50
1 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 −13.5 ± 0.6 9.8 ± 0.4
2 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 −12.7 ± 0.6 9.2 ± 0.4
3 EDJ-MED-9f4ac58c-6 molecule COC1(CC1)CS(=O)(=O)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −12.4 ± 0.3 9.0 ± 0.2
4 MAT-POS-be048f2c-5 molecule CCn1c(ccn1)C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −11.9 ± 0.1 8.68 ± 0.10
5 MAT-POS-be048f2c-8 molecule CCCn1c(ccn1)C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −11.8 ± 0.2 8.6 ± 0.1
6 EDJ-MED-fed7ac0b-3 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CN3)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −11.8 ± 0.4 8.6 ± 0.3
7 MAT-POS-853c0ffa-13 molecule c1cc2cncc(c2cc1F)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −11.6 ± 0.4 8.4 ± 0.3
8 EDJ-MED-9f4ac58c-2 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −11.4 ± 0.5 8.3 ± 0.4
9 MAT-POS-40ad851a-3 molecule CCN(CC)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −11.4 ± 0.8 8.3 ± 0.6
10 EDJ-MED-9f4ac58c-7 molecule COC1(CC1)CS(=O)(=O)N2CC3(CCN(C3=O)c4cncc5c4ccc(c5)NS(=O)(=O)C)c6cc(ccc6C2=O)Cl −11.3 ± 0.4 8.3 ± 0.3
11 EDJ-MED-9f4ac58c-5 molecule COC1(CC1)CS(=O)(=O)N2CC3(CCN(C3=O)c4cncc5c4ccc(c5)Cl)c6cc(ccc6C2=O)Cl −11.3 ± 0.4 8.2 ± 0.3
12 MAT-POS-50a80394-2 molecule CCC1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −11.3 ± 0.4 8.2 ± 0.3
13 EDJ-MED-7e491f08-2 molecule CNC(=O)C1(CC1)N2C[C@]3(c4cc(ccc4C2=O)Cl)C(=O)N(CC3(F)F)c5cncc6c5cccc6 −11.3 ± 0.2 8.2 ± 0.1
14 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 −11.2 ± 0.7 8.2 ± 0.5
15 MAT-POS-be048f2c-7 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)C(=O)c6ccnn6C7CC7 −11.2 ± 0.2 8.2 ± 0.1
16 EDJ-MED-9f4ac58c-1 molecule c1cc2c(cc1Cl)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −11.1 ± 0.5 8.1 ± 0.4
17 EDJ-MED-dfa1d800-1 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CCCC6)c7cc(ccc7C2=O)Cl −11.1 ± 0.4 8.1 ± 0.3
18 MAT-POS-38eb6498-6 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)C(=O)NC)c5cc(ccc5C1=O)Cl −11.1 ± 0.2 8.1 ± 0.1
19 EDJ-MED-9f4ac58c-8 molecule COC1(CC1)CS(=O)(=O)N2CC3(CCN(C3=O)c4cncc5c4ccc(c5)S(=O)(=O)C)c6cc(ccc6C2=O)Cl −11.1 ± 0.4 8.1 ± 0.3
20 EDJ-MED-dfa1d800-3 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CCS(=O)(=O)CC6)c7cc(ccc7C2=O)Cl −11.0 ± 0.3 8.0 ± 0.2
21 PET-UNK-aa57768f-7 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nnco6 −11.0 ± 0.1 7.99 ± 0.09
22 EDJ-MED-a12e3a20-2 molecule CNC(=O)CN1CC2(c3cc(ccc3C1=O)Cl)C(=O)CN(C2=O)c4cncc5c4cccc5 −10.9 ± 0.1 7.97 ± 0.09
23 EDJ-MED-b6c6ee2b-5 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)OCCN(C)C)c5cc(ccc5C1=O)Cl −10.9 ± 0.3 8.0 ± 0.2
24 VLA-UNK-f702bf1c-1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CCc6cc[nH]n6 −10.9 ± 0.1 7.93 ± 0.10
25 EDJ-MED-cc48ee33-2 molecule Cn1c(ccn1)C(=O)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −10.9 ± 0.1 7.9 ± 0.1
26 EDJ-MED-cc48ee33-5 molecule Cc1cc(n(n1)C)C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −10.9 ± 0.1 7.92 ± 0.10
27 EDJ-MED-cc48ee33-7 molecule Cn1c(ccn1)CN2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −10.9 ± 0.2 7.9 ± 0.1
28 EDJ-MED-cc48ee33-3 molecule Cn1c(ccn1)C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −10.8 ± 0.1 7.88 ± 0.10
29 EDJ-MED-dfa1d800-2 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CCOCC6)c7cc(ccc7C2=O)Cl −10.8 ± 0.4 7.8 ± 0.3
30 EDJ-MED-fed7ac0b-2 molecule CNC(=O)C1(CC1)N2CC3(CNN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −10.7 ± 0.1 7.81 ± 0.10
31 MAT-POS-38eb6498-4 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)OCCN(C)C)c5cc(ccc5C1=O)Cl −10.7 ± 0.3 7.8 ± 0.2
32 MAT-POS-50a80394-3 molecule CC(C)C1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −10.7 ± 0.5 7.8 ± 0.3
33 PET-UNK-aa57768f-9 molecule C#CCN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −10.7 ± 0.1 7.78 ± 0.08
34 LUO-POS-8c3e556a-2 molecule CNC(=O)CN1C[C@@]2(CCN(C2=O)c3cncc4c3cc(cc4)Cl)c5cc(ccc5C1=O)Cl −10.5 ± 0.1 7.68 ± 0.08
35 EDJ-MED-976a33d5-2 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4ccc(c5)S(=O)(=O)C)c6cc(ccc6C2=O)Cl −10.5 ± 0.2 7.6 ± 0.1
36 VLA-UNK-3a43cd95-1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(c(c5)F)Cl)NC3=O −10.47 ± 0.08 7.63 ± 0.06
37 EDJ-MED-dfa1d800-4 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CCC(CC6)(F)F)c7cc(ccc7C2=O)Cl −10.5 ± 0.3 7.6 ± 0.3
38 EDJ-MED-cc48ee33-4 molecule Cc1cnn(c1C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl)C −10.4 ± 0.1 7.5 ± 0.1
39 LUO-POS-8484f2d3-1 molecule CN(C)CCOc1ccc2cncc(c2c1)N3CC[C@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −10.3 ± 0.5 7.5 ± 0.4
40 EDJ-MED-5cd3920d-3 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OC(F)F)c6cc(ccc6C2=O)Cl −10.3 ± 0.2 7.5 ± 0.1
41 EDJ-MED-5cd3920d-4 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)C(F)F)c6cc(ccc6C2=O)Cl −10.3 ± 0.2 7.5 ± 0.1
42 PET-UNK-aa57768f-3 molecule C#CCN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −10.3 ± 0.1 7.48 ± 0.08
43 PET-UNK-14142a25-10 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −10.2 ± 0.1 7.44 ± 0.09
44 EDJ-MED-ee81482e-4 molecule c1cc2cncc(c2cc1OC3CCNCC3)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −10.2 ± 0.8 7.4 ± 0.6
45 PET-UNK-aa57768f-1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nnco6 −10.2 ± 0.1 7.4 ± 0.1
46 EDJ-MED-b6c6ee2b-7 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)F)c6cc(ccc6C2=O)Cl −10.1 ± 0.1 7.36 ± 0.09
47 VLA-UCB-34f3ed0c-14 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CC6CCCCC6 −10.1 ± 0.1 7.4 ± 0.1
48 EDJ-MED-976a33d5-1 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −10.1 ± 0.1 7.35 ± 0.10
49 LUO-POS-8c3e556a-1 molecule CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(cc4)Cl)c5cc(ccc5C1=O)Cl −10.1 ± 0.1 7.35 ± 0.09
50 PET-UNK-14142a25-1 molecule CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −10.1 ± 0.1 7.32 ± 0.09
51 LUO-POS-9931618f-1 molecule CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −10.0 ± 0.1 7.31 ± 0.09
52 VLA-UNK-f702bf1c-2 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)Cc6cc[nH]n6 −10.0 ± 0.1 7.30 ± 0.09
53 VLA-UNK-f702bf1c-6 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CC6CCCCC6 −10.0 ± 0.2 7.3 ± 0.1
54 MAT-POS-576f7758-2 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −10.0 ± 0.1 7.3 ± 0.1
55 EDG-MED-b1ef7fe3-1 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)Cl)c5cc(ccc5C1=O)Cl −10.0 ± 0.1 7.3 ± 0.1
56 EDJ-MED-98c0a822-3 molecule CNC(=O)C1(CCC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −10.0 ± 0.2 7.3 ± 0.1
57 EDJ-MED-fd8ed875-6 molecule CNC(=O)C1(CC1)N2CC3(c4cc(ccc4C2=O)Cl)C(=CN(C3=O)c5cncc6c5cccc6)F −10.0 ± 0.1 7.26 ± 0.09
58 LUO-POS-9931618f-2 molecule CNC(=O)CN1C[C@@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.9 ± 0.1 7.24 ± 0.09
59 MAT-POS-b4d6b7fc-7 molecule CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4ccc(c5)NS(=O)(=O)C)Cl −9.9 ± 0.3 7.2 ± 0.2
60 VLA-UNK-cf7facf1-1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@]4(CCOc5c4cc(cc5)Cl)NC3=O −9.92 ± 0.06 7.22 ± 0.05
61 EDG-MED-b1ef7fe3-2 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)F)c5cc(ccc5C1=O)Cl −9.9 ± 0.1 7.22 ± 0.09
62 EDJ-MED-fd8ed875-5 molecule CNC(=O)CN1CC2(c3cc(ccc3C1=O)Cl)C(=CN(C2=O)c4cncc5c4cccc5)F −9.9 ± 0.1 7.21 ± 0.08
63 DAR-DIA-0f7b7cd9-9 molecule c1ccc2c(c1)cncc2N3CC(=O)C4(C3=O)CCOc5c4cc(cc5)Cl −9.88 ± 0.08 7.20 ± 0.06
64 MAT-POS-853c0ffa-10 molecule CN(C)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)OC −9.9 ± 0.5 7.2 ± 0.4
65 EDG-MED-b1ef7fe3-3 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3ccc(c4)F)c5cc(ccc5C1=O)Cl −9.8 ± 0.1 7.17 ± 0.09
66 DAR-DIA-0f7b7cd9-8 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CCOc5c4cc(cc5)Cl)C(=O)S3 −9.84 ± 0.08 7.17 ± 0.06
67 MAT-POS-c2d406ed-1 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)NC3=O −9.8 ± 0.2 7.2 ± 0.2
68 MAT-POS-40ad851a-4 molecule CN(C)CCCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.8 ± 0.7 7.2 ± 0.5
69 EDJ-MED-7e491f08-1 molecule c1ccc2c(c1)cncc2N3CC([C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)(F)F −9.8 ± 0.7 7.2 ± 0.5
70 EDG-MED-b1ef7fe3-4 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3ccc(c4)Cl)c5cc(ccc5C1=O)Cl −9.8 ± 0.1 7.14 ± 0.09
71 VLA-UCB-29506327-1 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CCOc5c4cc(cc5)Cl)NC3=O −9.78 ± 0.06 7.13 ± 0.05
72 EDJ-MED-159244ea-1 molecule c1ccc2c(c1)cncc2N3CC[C@]4(C3=O)CCOc5c4cc(cc5)Cl −9.78 ± 0.07 7.13 ± 0.05
73 VLA-UCB-34f3ed0c-11 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)NC3=O −9.77 ± 0.07 7.12 ± 0.05
74 MAT-POS-853c0ffa-1 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3c(ccc4)Cl)c5cc(ccc5C1=O)Cl −9.8 ± 0.1 7.11 ± 0.10
75 VLA-UNK-56836b69-2 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(c(c5)Cl)Cl)NC3=O −9.69 ± 0.09 7.06 ± 0.07
76 BEN-BAS-c2bc0d80-3 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CCOc5c4cc(cc5)Cl)CN3 −9.68 ± 0.08 7.05 ± 0.06
77 EDJ-MED-5cd3920d-1 molecule c1cc2cncc(c2cc1OC(F)F)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.7 ± 0.4 7.0 ± 0.3
78 MAT-POS-40ad851a-1 molecule CN1CCCC1COc2ccc3cncc(c3c2)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −9.6 ± 0.4 7.0 ± 0.3
79 MAT-POS-983b399a-1 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CCOc5c4cc(cc5)Cl −9.63 ± 0.10 7.02 ± 0.07
80 MAT-POS-853c0ffa-19 molecule CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cc(cc6)OCCN(C)C)Cl −9.6 ± 0.6 7.0 ± 0.5
81 EDJ-MED-b6c6ee2b-6 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)F)c5cc(ccc5C1=O)Cl −9.6 ± 0.1 6.99 ± 0.09
82 EDJ-MED-ee81482e-2 molecule CN1CC(C1)Oc2ccc3cncc(c3c2)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −9.6 ± 0.5 7.0 ± 0.3
83 EDJ-MED-a12e3a20-1 molecule c1ccc2c(c1)cncc2N3CC(=O)C4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.6 ± 0.4 7.0 ± 0.3
84 PET-UNK-aa57768f-8 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC#N −9.54 ± 0.10 6.95 ± 0.07
85 MAT-POS-c2d406ed-2 molecule CN1C(=O)N(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −9.5 ± 0.3 6.9 ± 0.2
86 VLA-UNK-3a43cd95-3 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CCOc5c4cc(c(c5)F)Cl −9.53 ± 0.06 6.95 ± 0.04
87 LUO-POS-b5068a05-1 molecule CN(C)NC1=NC2(CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)C(=O)N1c5cncc6c5cccc6 −9.5 ± 0.3 6.9 ± 0.2
88 EDJ-MED-fed7ac0b-1 molecule CNC(=O)CN1CC2(CNN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.5 ± 0.2 6.9 ± 0.1
89 MAT-POS-1d5ab790-3 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3c(ccc4)Cl)c5cc(ccc5C1=O)Cl −9.5 ± 0.1 6.91 ± 0.10
90 LUO-POS-868e8996-7 molecule CNC(=O)CN1C[C@@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.5 ± 0.1 6.90 ± 0.08
91 MAT-POS-69786b79-3 molecule CC1(CC1)NC(=O)CN2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −9.5 ± 0.3 6.9 ± 0.2
92 PET-UNK-aa57768f-2 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC#N −9.40 ± 0.10 6.85 ± 0.07
93 MAT-POS-c2d406ed-3 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)NC3=S −9.4 ± 0.3 6.8 ± 0.3
94 MIK-ENA-5d9157e9-2 molecule c1ccc2c(c1)cncc2N3CC[C@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.4 ± 0.5 6.8 ± 0.4
95 VLA-UNK-f702bf1c-8 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CCc6nc[nH]n6 −9.4 ± 0.2 6.8 ± 0.1
96 LUO-POS-868e8996-8 molecule CNC(=O)CN1C[C@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.4 ± 0.1 6.83 ± 0.09
97 MAT-POS-1bed62cf-2 molecule CNC(=O)CN1CC2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.36 ± 0.10 6.82 ± 0.07
98 EDJ-MED-ee81482e-1 molecule c1cc2cncc(c2cc1OC3CNC3)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −9.4 ± 0.4 6.8 ± 0.3
99 MAT-POS-50a80394-4 molecule CC1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 −9.4 ± 0.2 6.8 ± 0.2
100 ALP-POS-477dc5b7-4 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CCOc5c4cc(cc5)Cl −9.31 ± 0.10 6.78 ± 0.07
Last updated 2022-01-08T20:00:02.418133+00:00
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