Compounds

Showing 1 through 100 of 290
Rank Compound SMILES ΔG / kcal M-1 pIC50
1 MAT-POS-38eb6498-1 molecule CN(C)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −14.4 ± 0.6 10.5 ± 0.4
2 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 −13.7 ± 0.5 10.0 ± 0.4
3 EDJ-MED-9f4ac58c-5 molecule COC1(CC1)CS(=O)(=O)N2CC3(CCN(C3=O)c4cncc5c4ccc(c5)Cl)c6cc(ccc6C2=O)Cl −12.5 ± 0.4 9.1 ± 0.3
4 MAT-POS-40ad851a-3 molecule CCN(CC)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −12.4 ± 0.6 9.0 ± 0.4
5 EDJ-MED-7e491f08-2 molecule CNC(=O)C1(CC1)N2C[C@]3(c4cc(ccc4C2=O)Cl)C(=O)N(CC3(F)F)c5cncc6c5cccc6 −12.1 ± 0.2 8.8 ± 0.1
6 EDJ-MED-9f4ac58c-2 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −11.9 ± 0.6 8.7 ± 0.4
7 MAT-POS-be048f2c-5 molecule CCn1c(ccn1)C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −11.8 ± 0.2 8.6 ± 0.1
8 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
9 EDJ-MED-9f4ac58c-6 molecule COC1(CC1)CS(=O)(=O)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −11.8 ± 0.4 8.6 ± 0.3
10 MAT-POS-be048f2c-7 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)C(=O)c6ccnn6C7CC7 −11.8 ± 0.2 8.6 ± 0.1
11 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 −11.7 ± 0.6 8.5 ± 0.4
12 MAT-POS-40ad851a-5 molecule c1cc2cncc(c2cc1OCCCN3CCCC3)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −11.7 ± 0.6 8.5 ± 0.5
13 MAT-POS-40ad851a-4 molecule CN(C)CCCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −11.5 ± 0.5 8.4 ± 0.4
14 EDJ-MED-dfa1d800-3 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CCS(=O)(=O)CC6)c7cc(ccc7C2=O)Cl −11.4 ± 0.3 8.3 ± 0.2
15 EDJ-MED-cc48ee33-2 molecule Cn1c(ccn1)C(=O)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −11.2 ± 0.2 8.2 ± 0.1
16 PET-UNK-aa57768f-1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nnco6 −11.1 ± 0.2 8.1 ± 0.1
17 ALP-POS-ecbed2ba-10 molecule COC1CN(C1)S(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −11.1 ± 0.7 8.1 ± 0.5
18 EDJ-MED-cc48ee33-4 molecule Cc1cnn(c1C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl)C −11.0 ± 0.2 8.0 ± 0.1
19 LUO-POS-d1147590-1 molecule CN1CCC(CC1)Oc2ccc3cncc(c3c2)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −11.0 ± 0.6 8.0 ± 0.4
20 EDJ-MED-dfa1d800-5 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CC(C6)(F)F)c7cc(ccc7C2=O)Cl −11.0 ± 0.3 8.0 ± 0.2
21 EDJ-MED-9f4ac58c-8 molecule COC1(CC1)CS(=O)(=O)N2CC3(CCN(C3=O)c4cncc5c4ccc(c5)S(=O)(=O)C)c6cc(ccc6C2=O)Cl −11.0 ± 0.6 8.0 ± 0.4
22 EDJ-MED-fed7ac0b-2 molecule CNC(=O)C1(CC1)N2CC3(CNN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −10.9 ± 0.2 7.9 ± 0.1
23 VLA-UNK-f702bf1c-1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CCc6cc[nH]n6 −10.9 ± 0.2 7.9 ± 0.2
24 EDJ-MED-cc48ee33-3 molecule Cn1c(ccn1)C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −10.9 ± 0.2 7.9 ± 0.1
25 EDJ-MED-fed7ac0b-3 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CN3)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −10.9 ± 0.5 7.9 ± 0.3
26 EDJ-MED-cc48ee33-5 molecule Cc1cc(n(n1)C)C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −10.8 ± 0.2 7.9 ± 0.1
27 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 −10.8 ± 0.7 7.9 ± 0.5
28 MAT-POS-38eb6498-6 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)C(=O)NC)c5cc(ccc5C1=O)Cl −10.7 ± 0.2 7.8 ± 0.1
29 EDJ-MED-9f4ac58c-1 molecule c1cc2c(cc1Cl)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −10.7 ± 0.4 7.8 ± 0.3
30 EDJ-MED-a12e3a20-2 molecule CNC(=O)CN1CC2(c3cc(ccc3C1=O)Cl)C(=O)CN(C2=O)c4cncc5c4cccc5 −10.7 ± 0.1 7.8 ± 0.1
31 PET-UNK-aa57768f-7 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nnco6 −10.6 ± 0.1 7.8 ± 0.1
32 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 −10.5 ± 0.6 7.6 ± 0.4
33 DAR-DIA-0f7b7cd9-9 molecule c1ccc2c(c1)cncc2N3CC(=O)C4(C3=O)CCOc5c4cc(cc5)Cl −10.47 ± 0.10 7.63 ± 0.07
34 EDJ-MED-dfa1d800-1 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CCCC6)c7cc(ccc7C2=O)Cl −10.4 ± 0.3 7.6 ± 0.2
35 MAT-POS-576f7758-2 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −10.3 ± 0.2 7.5 ± 0.1
36 EDJ-MED-dfa1d800-2 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CCOCC6)c7cc(ccc7C2=O)Cl −10.3 ± 0.3 7.5 ± 0.2
37 EDJ-MED-ee81482e-2 molecule CN1CC(C1)Oc2ccc3cncc(c3c2)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −10.3 ± 0.4 7.5 ± 0.3
38 MAT-POS-40ad851a-1 molecule CN1CCCC1COc2ccc3cncc(c3c2)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −10.3 ± 0.5 7.5 ± 0.3
39 MAT-POS-c2d406ed-1 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)NC3=O −10.2 ± 0.3 7.5 ± 0.2
40 EDJ-MED-9f4ac58c-7 molecule COC1(CC1)CS(=O)(=O)N2CC3(CCN(C3=O)c4cncc5c4ccc(c5)NS(=O)(=O)C)c6cc(ccc6C2=O)Cl −10.2 ± 0.5 7.5 ± 0.3
41 EDJ-MED-5cd3920d-4 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)C(F)F)c6cc(ccc6C2=O)Cl −10.2 ± 0.2 7.5 ± 0.1
42 VLA-UCB-34f3ed0c-14 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CC6CCCCC6 −10.2 ± 0.2 7.4 ± 0.2
43 VLA-UNK-f702bf1c-6 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CC6CCCCC6 −10.2 ± 0.2 7.4 ± 0.2
44 MAT-POS-40ad851a-2 molecule CCN(C)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −10.2 ± 0.4 7.4 ± 0.3
45 MAT-POS-c2d406ed-2 molecule CN1C(=O)N(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −10.2 ± 0.3 7.4 ± 0.2
46 LUO-POS-8c3e556a-2 molecule CNC(=O)CN1C[C@@]2(CCN(C2=O)c3cncc4c3cc(cc4)Cl)c5cc(ccc5C1=O)Cl −10.2 ± 0.2 7.4 ± 0.1
47 PET-UNK-14142a25-10 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −10.1 ± 0.2 7.4 ± 0.1
48 EDJ-MED-dfa1d800-4 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CCC(CC6)(F)F)c7cc(ccc7C2=O)Cl −10.1 ± 0.5 7.3 ± 0.3
49 VLA-UNK-f702bf1c-2 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)Cc6cc[nH]n6 −10.1 ± 0.2 7.3 ± 0.1
50 EDJ-MED-fed7ac0b-1 molecule CNC(=O)CN1CC2(CNN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −10.1 ± 0.1 7.3 ± 0.1
51 EDG-MED-b1ef7fe3-1 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)Cl)c5cc(ccc5C1=O)Cl −10.1 ± 0.2 7.3 ± 0.1
52 EDJ-MED-b6c6ee2b-5 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)OCCN(C)C)c5cc(ccc5C1=O)Cl −10.1 ± 0.3 7.3 ± 0.2
53 EDG-MED-b1ef7fe3-4 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3ccc(c4)Cl)c5cc(ccc5C1=O)Cl −10.1 ± 0.1 7.33 ± 0.10
54 EDJ-MED-8bb691af-8 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −10.1 ± 0.2 7.3 ± 0.1
55 EDJ-MED-976a33d5-1 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −10.1 ± 0.2 7.3 ± 0.1
56 MAT-POS-50a80394-3 molecule CC(C)C1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −10.0 ± 0.5 7.3 ± 0.4
57 DAR-DIA-0f7b7cd9-8 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CCOc5c4cc(cc5)Cl)C(=O)S3 −10.0 ± 0.1 7.28 ± 0.09
58 PET-UNK-aa57768f-9 molecule C#CCN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −10.0 ± 0.2 7.3 ± 0.1
59 EDJ-MED-fd8ed875-5 molecule CNC(=O)CN1CC2(c3cc(ccc3C1=O)Cl)C(=CN(C2=O)c4cncc5c4cccc5)F −10.0 ± 0.1 7.3 ± 0.1
60 EDJ-MED-b6c6ee2b-2 molecule CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OC)Cl −9.9 ± 0.3 7.2 ± 0.2
61 LUO-POS-9931618f-1 molecule CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.9 ± 0.2 7.2 ± 0.1
62 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 ± 0.4 7.2 ± 0.3
63 MAT-POS-50a80394-2 molecule CCC1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −9.9 ± 0.7 7.2 ± 0.5
64 EDG-MED-b1ef7fe3-2 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)F)c5cc(ccc5C1=O)Cl −9.9 ± 0.2 7.2 ± 0.1
65 LUO-POS-868e8996-8 molecule CNC(=O)CN1C[C@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.9 ± 0.1 7.2 ± 0.1
66 EDJ-MED-a12e3a20-1 molecule c1ccc2c(c1)cncc2N3CC(=O)C4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.9 ± 0.6 7.2 ± 0.4
67 MAT-POS-be048f2c-6 molecule CC(C)n1c(ccn1)C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −9.8 ± 0.2 7.2 ± 0.2
68 ALP-POS-ecbed2ba-5 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6CS(=O)(=O)C6 −9.8 ± 0.9 7.1 ± 0.6
69 VLA-UCB-34f3ed0c-11 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)NC3=O −9.80 ± 0.08 7.14 ± 0.06
70 MAT-POS-983b399a-1 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CCOc5c4cc(cc5)Cl −9.78 ± 0.10 7.12 ± 0.07
71 EDJ-MED-fd8ed875-6 molecule CNC(=O)C1(CC1)N2CC3(c4cc(ccc4C2=O)Cl)C(=CN(C3=O)c5cncc6c5cccc6)F −9.7 ± 0.2 7.1 ± 0.1
72 MAT-POS-853c0ffa-9 molecule CN(C)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.7 ± 0.6 7.1 ± 0.4
73 PET-UNK-aa57768f-3 molecule C#CCN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.7 ± 0.3 7.1 ± 0.2
74 VLA-UCB-29506327-1 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CCOc5c4cc(cc5)Cl)NC3=O −9.73 ± 0.09 7.09 ± 0.06
75 BEN-BAS-c2bc0d80-3 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CCOc5c4cc(cc5)Cl)CN3 −9.71 ± 0.10 7.07 ± 0.07
76 MAT-POS-c2d406ed-3 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)NC3=S −9.7 ± 0.3 7.1 ± 0.2
77 VLA-UNK-cf7facf1-1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@]4(CCOc5c4cc(cc5)Cl)NC3=O −9.70 ± 0.08 7.06 ± 0.06
78 EDJ-MED-ee81482e-1 molecule c1cc2cncc(c2cc1OC3CNC3)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −9.7 ± 0.4 7.0 ± 0.3
79 ALP-POS-ecbed2ba-22 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)CC#N −9.7 ± 0.3 7.0 ± 0.3
80 MAT-POS-1d5ab790-3 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3c(ccc4)Cl)c5cc(ccc5C1=O)Cl −9.7 ± 0.2 7.0 ± 0.1
81 EDJ-MED-b6c6ee2b-7 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)F)c6cc(ccc6C2=O)Cl −9.6 ± 0.2 7.0 ± 0.1
82 MAT-POS-38eb6498-2 molecule CNC(=O)c1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.6 ± 0.3 7.0 ± 0.2
83 VLA-UNK-3a43cd95-1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(c(c5)F)Cl)NC3=O −9.64 ± 0.10 7.02 ± 0.07
84 ALP-POS-477dc5b7-4 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CCOc5c4cc(cc5)Cl −9.6 ± 0.1 7.01 ± 0.09
85 EDG-MED-b1ef7fe3-3 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3ccc(c4)F)c5cc(ccc5C1=O)Cl −9.6 ± 0.2 7.0 ± 0.1
86 MAT-POS-38eb6498-4 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)OCCN(C)C)c5cc(ccc5C1=O)Cl −9.6 ± 0.3 7.0 ± 0.2
87 DAR-DIA-6be260fc-5 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CCNc5c4cc(cc5)Cl −9.6 ± 0.1 6.99 ± 0.08
88 MAT-POS-90505e2b-1 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CCOc5c4cc(cc5)Cl)OC3=O −9.59 ± 0.07 6.99 ± 0.05
89 EDJ-MED-fd8ed875-3 molecule CNC(=O)CN1CC2(C=CN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.6 ± 0.1 6.99 ± 0.09
90 MAT-POS-1bed62cf-2 molecule CNC(=O)CN1CC2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.6 ± 0.2 7.0 ± 0.1
91 MAT-POS-853c0ffa-1 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3c(ccc4)Cl)c5cc(ccc5C1=O)Cl −9.6 ± 0.2 7.0 ± 0.1
92 EDJ-MED-159244ea-1 molecule c1ccc2c(c1)cncc2N3CC[C@]4(C3=O)CCOc5c4cc(cc5)Cl −9.5 ± 0.1 6.95 ± 0.08
93 PET-UNK-aa57768f-2 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC#N −9.5 ± 0.1 6.94 ± 0.08
94 MAT-POS-96396902-1 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)Cc6nncs6 −9.5 ± 0.2 6.9 ± 0.2
95 PET-UNK-aa57768f-8 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC#N −9.5 ± 0.1 6.9 ± 0.1
96 EDJ-MED-5cd3920d-2 molecule c1cc2cncc(c2cc1C(F)F)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.5 ± 0.6 6.9 ± 0.4
97 LUO-POS-868e8996-7 molecule CNC(=O)CN1C[C@@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.5 ± 0.1 6.92 ± 0.09
98 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 −9.5 ± 0.7 6.9 ± 0.5
99 MIK-ENA-5d9157e9-1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.5 ± 0.4 6.9 ± 0.3
100 LUO-POS-8c3e556a-1 molecule CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(cc4)Cl)c5cc(ccc5C1=O)Cl −9.4 ± 0.2 6.9 ± 0.2
Last updated 2022-01-08T06:54:59.612175+00:00
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