Compounds

Showing 1 through 100 of 408
Rank Compound SMILES ΔG / kcal M-1 pIC50
1 EDJ-MED-33064c06-2 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6(CC6)N −14.8 ± 0.3 10.7 ± 0.2
2 ALP-POS-c3a90b22-7 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CS(=O)(=O)CC6(CC6)C#N −14.7 ± 0.3 10.7 ± 0.2
3 ALP-POS-c3a90b22-12 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6COC6 −14.5 ± 0.2 10.6 ± 0.2
4 EDJ-MED-33064c06-8 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6(CC6)O −14.4 ± 0.3 10.5 ± 0.2
5 EDJ-MED-33064c06-14 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6(CCC6)O −14.1 ± 0.4 10.3 ± 0.3
6 ALP-POS-c3a90b22-6 molecule CNC(=O)CCN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −14.0 ± 0.4 10.2 ± 0.3
7 ALP-POS-4483ae88-2 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5S1(=O)=O)Cl −14.0 ± 0.5 10.2 ± 0.4
8 EDJ-MED-4cb9dd84-1 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6CC6 −13.8 ± 0.3 10.1 ± 0.2
9 MAT-POS-c7726e07-6 molecule CNC(=O)CN1Cc2ccc(cc2[C@@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −13.8 ± 0.2 10.1 ± 0.1
10 MAT-POS-69786b79-3 molecule CC1(CC1)NC(=O)CN2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −13.7 ± 0.2 10.0 ± 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 −13.5 ± 0.9 9.8 ± 0.7
12 PET-UNK-37c7074c-4 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6ccon6 −13.3 ± 0.2 9.7 ± 0.2
13 ALP-POS-c3a90b22-2 molecule CNC(=O)C1(CCC1)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −13.2 ± 0.3 9.6 ± 0.2
14 EDJ-MED-33064c06-15 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NC6(CC6)C#N −13.0 ± 0.2 9.5 ± 0.2
15 ALP-POS-afe0272e-1 molecule CNC(=O)CN1Cc2cc(c(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)Cl −13.0 ± 0.2 9.5 ± 0.1
16 EDJ-MED-33064c06-17 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6(CC6)C#N −12.8 ± 0.3 9.3 ± 0.2
17 EDJ-MED-b6c6ee2b-1 molecule CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OCCN(C)C)Cl −12.6 ± 0.4 9.2 ± 0.3
18 EDJ-MED-0d144977-2 molecule Cn1cncc1CN2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −12.6 ± 0.5 9.2 ± 0.3
19 MAT-POS-38eb6498-3 molecule CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OCCN(C)C)Cl −12.6 ± 0.4 9.1 ± 0.3
20 MAT-POS-e48723dc-2 molecule CNC(=O)C1(CC1)N2C[C@@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −12.5 ± 0.3 9.1 ± 0.2
21 LUO-POS-e1dab717-18 molecule CC1(CC2(CN(Cc3c2cc(cc3)Cl)CC(=O)NC)C(=O)N1c4cncc5c4cccc5)C −12.5 ± 0.4 9.1 ± 0.3
22 MAT-POS-b4d6b7fc-6 molecule CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4c(ccc5)Cl)Cl −12.4 ± 0.4 9.0 ± 0.3
23 MIK-ENA-7066949b-1 molecule CN(C)CCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −12.2 ± 0.9 8.9 ± 0.7
24 PET-UNK-14142a25-1 molecule CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −12.2 ± 0.3 8.9 ± 0.2
25 MAT-POS-38eb6498-6 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)C(=O)NC)c5cc(ccc5C1=O)Cl −12.1 ± 0.5 8.8 ± 0.3
26 DAR-DIA-0f7b7cd9-9 molecule c1ccc2c(c1)cncc2N3CC(=O)C4(C3=O)CCOc5c4cc(cc5)Cl −12.1 ± 0.4 8.8 ± 0.3
27 VLA-UNK-8e615992-5 molecule CNC(=O)CN1C(C2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)F −11.9 ± 0.3 8.7 ± 0.2
28 PET-UNK-aa57768f-2 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC#N −11.9 ± 0.3 8.7 ± 0.2
29 EDJ-MED-cc48ee33-5 molecule Cc1cc(n(n1)C)C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −11.9 ± 0.5 8.6 ± 0.3
30 PET-UNK-c6bcc80b-4 molecule CS(=O)(=O)Nc1cc2cncc(c2cc1F)N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −11.6 ± 0.9 8.4 ± 0.7
31 EDJ-MED-0d144977-5 molecule Cn1ccnc1CN2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −11.3 ± 0.3 8.2 ± 0.2
32 PET-UNK-c6bcc80b-6 molecule CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(c(c4)NS(=O)(=O)C)F)c5cc(ccc5C1=O)Cl −11.3 ± 0.4 8.2 ± 0.3
33 PET-UNK-c6bcc80b-12 molecule CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cc(c(c5)NS(=O)(=O)C)F)Cl −11.2 ± 0.3 8.2 ± 0.2
34 VLA-UNK-61877630-5 molecule CNC(=O)CN1C[C@@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(c(cc5C1=O)F)Cl −11.2 ± 0.3 8.2 ± 0.2
35 EDJ-MED-5cd3920d-6 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C(F)(F)F −11.2 ± 0.8 8.1 ± 0.6
36 MAT-POS-38eb6498-2 molecule CNC(=O)c1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −11.1 ± 0.9 8.1 ± 0.6
37 MAT-POS-ddfe83c6-6 molecule CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cc(cc5)Cl)Cl −11.0 ± 0.3 8.0 ± 0.3
38 JOH-MSK-1f2dff76-1 molecule CNC(=O)CN1Cc2ccc(cc2[C@@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl −10.9 ± 0.5 8.0 ± 0.4
39 LUO-POS-e1dab717-8 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN(C)C)c6cc(ccc6C2=O)Cl −10.9 ± 0.7 7.9 ± 0.5
40 MAT-POS-50a80394-2 molecule CCC1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −10.9 ± 0.9 7.9 ± 0.7
41 PET-UNK-6af7266d-3 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nncs6 −10.9 ± 0.2 7.9 ± 0.1
42 ALP-POS-c3a90b22-3 molecule CNC(=O)C1(COC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −10.8 ± 0.4 7.9 ± 0.3
43 PET-UNK-aa57768f-9 molecule C#CCN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −10.8 ± 0.3 7.9 ± 0.2
44 PET-UNK-94036022-3 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl −10.7 ± 0.7 7.8 ± 0.5
45 MIK-ENA-99706bb8-1 molecule C[C@H]1CN(C(=O)[C@]12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −10.7 ± 0.8 7.8 ± 0.6
46 PET-UNK-c6bcc80b-13 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(c(c4)NS(=O)(=O)C)F)c5cc(ccc5C1=O)Cl −10.6 ± 0.4 7.8 ± 0.3
47 MAT-POS-be048f2c-8 molecule CCCn1c(ccn1)C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −10.6 ± 0.5 7.7 ± 0.4
48 PET-UNK-aa57768f-8 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC#N −10.6 ± 0.3 7.7 ± 0.2
49 LUO-POS-b4dec3be-1 molecule CNC(=O)CN1Cc2ccc(cc2[C@@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl −10.6 ± 0.2 7.7 ± 0.2
50 PET-UNK-c6bcc80b-5 molecule CNC(=O)CN1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(c(c5)NS(=O)(=O)C)F)Cl −10.6 ± 0.3 7.7 ± 0.2
51 EDJ-MED-4138fde9-8 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6COC6 −10.6 ± 0.8 7.7 ± 0.6
52 VLA-UNK-8e615992-1 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(cc(c5C1=O)F)Cl −10.6 ± 0.5 7.7 ± 0.4
53 MAT-POS-e48723dc-1 molecule CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −10.5 ± 0.3 7.7 ± 0.2
54 EDJ-MED-98c0a822-4 molecule CNC(=O)C1(COC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −10.5 ± 0.4 7.7 ± 0.3
55 EDJ-MED-b6c6ee2b-7 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)F)c6cc(ccc6C2=O)Cl −10.5 ± 0.4 7.6 ± 0.3
56 LUO-POS-e1dab717-6 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OC)c6cc(ccc6C2=O)Cl −10.5 ± 0.4 7.6 ± 0.3
57 EDJ-MED-cc48ee33-7 molecule Cn1c(ccn1)CN2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −10.5 ± 0.3 7.6 ± 0.2
58 ALP-POS-c3a90b22-9 molecule CNC(=O)C1(CCOCC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −10.4 ± 0.4 7.6 ± 0.3
59 PET-UNK-6af7266d-2 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nncs6 −10.4 ± 0.4 7.6 ± 0.3
60 PET-UNK-7e9559de-1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)Cc6nncs6 −10.3 ± 0.4 7.5 ± 0.3
61 PET-UNK-6af7266d-1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nncs6 −10.3 ± 0.2 7.5 ± 0.1
62 MAT-POS-e75f6e44-19 molecule CC1(CCC1)CNC(=O)CN2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −10.3 ± 0.2 7.5 ± 0.2
63 ALP-POS-41e2080f-1 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl −10.3 ± 0.5 7.5 ± 0.3
64 EDJ-MED-7d88f880-2 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4ccc(c5)S(=N)(=O)C)c6cc(ccc6C2=O)Cl −10.3 ± 0.3 7.5 ± 0.2
65 EDJ-MED-0d144977-3 molecule Cn1c(ccn1)CN2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −10.2 ± 0.4 7.5 ± 0.3
66 EDJ-MED-0d144977-4 molecule Cn1c(ncn1)CN2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −10.2 ± 0.4 7.5 ± 0.3
67 EDJ-MED-6b23330e-4 molecule CC(C)(CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)O −10.2 ± 0.3 7.5 ± 0.2
68 PET-UNK-7e9559de-4 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)Cc6nncs6 −10.2 ± 0.5 7.5 ± 0.4
69 MAT-POS-1bed62cf-3 molecule CNC(=O)CN1Cc2ccc(cc2C3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl −10.2 ± 0.5 7.5 ± 0.4
70 MAT-POS-e75f6e44-2 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)F −10.2 ± 0.3 7.4 ± 0.2
71 EDJ-MED-8bb691af-4 molecule CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −10.2 ± 0.3 7.4 ± 0.2
72 PET-UNK-6af7266d-4 molecule c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nncs6 −10.1 ± 0.3 7.4 ± 0.2
73 EDJ-MED-4cb9dd84-3 molecule c1cc2cncc(c2cc1Cl)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6CC6 −10.1 ± 0.3 7.4 ± 0.2
74 LUO-POS-f7b1afe6-4 molecule CC1(CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5)C −10.1 ± 0.3 7.4 ± 0.2
75 EDJ-MED-dfa1d800-5 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CC(C6)(F)F)c7cc(ccc7C2=O)Cl −10.1 ± 0.5 7.4 ± 0.3
76 PET-UNK-aa57768f-1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nnco6 −10.1 ± 0.2 7.3 ± 0.1
77 PET-UNK-aa57768f-7 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nnco6 −10.1 ± 0.2 7.3 ± 0.1
78 MAT-POS-1d5ab790-2 molecule CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4c(ccc5)Cl)Cl −10.0 ± 0.2 7.3 ± 0.2
79 EDJ-MED-6b23330e-1 molecule CC(C)CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −10.0 ± 0.4 7.3 ± 0.3
80 MAT-POS-983b399a-1 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CCOc5c4cc(cc5)Cl −10.0 ± 0.3 7.3 ± 0.3
81 ALP-POS-ecbed2ba-12 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6CC6 −10.0 ± 0.3 7.3 ± 0.2
82 ALP-POS-c3a90b22-10 molecule CNC(=O)C1(CCOCC1)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −10.0 ± 0.3 7.3 ± 0.2
83 EDJ-MED-5cd3920d-5 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C(F)F −10.0 ± 0.8 7.3 ± 0.6
84 PET-UNK-77d5678a-5 molecule c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nnco6 −10.0 ± 0.3 7.3 ± 0.2
85 EDJ-MED-9f4ac58c-1 molecule c1cc2c(cc1Cl)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −10.0 ± 0.4 7.3 ± 0.3
86 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 −10.0 ± 0.9 7.3 ± 0.6
87 EDJ-MED-4138fde9-9 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6CC(C6)O −9.9 ± 0.8 7.2 ± 0.6
88 MAT-POS-69786b79-4 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NC6(CC6)C#N −9.9 ± 0.4 7.2 ± 0.3
89 LUO-POS-e1dab717-12 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(S(=O)(=O)c5c4cc(cc5)Cl)CC(=O)NCC6CC6 −9.9 ± 0.6 7.2 ± 0.5
90 LUO-POS-868e8996-12 molecule CNC(=O)CN1Cc2ccc(cc2[C@@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −9.9 ± 0.4 7.2 ± 0.3
91 MAT-POS-e75f6e44-14 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6COC6 −9.9 ± 0.4 7.2 ± 0.3
92 MAT-POS-e75f6e44-16 molecule CN1CC(C1)CNC(=O)CN2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −9.9 ± 0.3 7.2 ± 0.2
93 PET-UNK-77d5678a-6 molecule COC(=O)CN1CC2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.9 ± 0.2 7.2 ± 0.2
94 MAT-POS-96396902-1 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)Cc6nncs6 −9.9 ± 0.3 7.2 ± 0.2
95 MAT-POS-e75f6e44-11 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)C#N −9.8 ± 0.2 7.2 ± 0.2
96 EDJ-MED-6b23330e-7 molecule CC(C)(CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)N −9.8 ± 0.4 7.2 ± 0.3
97 PET-UNK-77d5678a-2 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nnco6 −9.8 ± 0.3 7.2 ± 0.2
98 MAT-POS-853c0ffa-18 molecule CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5c(cc(c6)F)Cl)Cl −9.8 ± 0.7 7.1 ± 0.5
99 MAT-POS-e75f6e44-13 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6CCC6 −9.8 ± 0.3 7.1 ± 0.2
100 12_-111-3e02a1cd-1 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nnco6 −9.7 ± 0.3 7.1 ± 0.2
Last updated 2022-02-18T16:43:30.479023+00:00
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