Compounds

Showing 1 through 100 of 408
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 −12.3 ± 0.6 9.0 ± 0.4
2 EDJ-MED-7d88f880-2 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4ccc(c5)S(=N)(=O)C)c6cc(ccc6C2=O)Cl −11.6 ± 0.4 8.5 ± 0.3
3 PET-UNK-c6bcc80b-13 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(c(c4)NS(=O)(=O)C)F)c5cc(ccc5C1=O)Cl −11.4 ± 0.4 8.3 ± 0.3
4 EDJ-MED-6b23330e-6 molecule CC(C)(CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)F −11.4 ± 0.2 8.3 ± 0.2
5 PET-UNK-c6bcc80b-5 molecule CNC(=O)CN1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(c(c5)NS(=O)(=O)C)F)Cl −11.3 ± 0.3 8.3 ± 0.2
6 MAT-POS-e75f6e44-16 molecule CN1CC(C1)CNC(=O)CN2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −11.3 ± 0.4 8.3 ± 0.3
7 EDJ-MED-0d144977-5 molecule Cn1ccnc1CN2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −11.3 ± 0.3 8.2 ± 0.2
8 EDJ-MED-7d88f880-3 molecule CS(=N)(=O)c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −11.3 ± 0.5 8.2 ± 0.4
9 MAT-POS-38eb6498-3 molecule CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OCCN(C)C)Cl −11.3 ± 0.5 8.2 ± 0.3
10 VLA-UNK-e334495f-3 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)c5cc(ccc5CN(C4C(F)(F)F)S(=O)(=O)CC6(CC6)C#N)Cl −11.2 ± 0.3 8.1 ± 0.2
11 EDJ-MED-6b23330e-5 molecule CC1(CC1)CNC(=O)CN2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −11.1 ± 0.2 8.1 ± 0.1
12 PET-UNK-94036022-14 molecule CNC(=O)CN1Cc2ccc(cc2C3(C1)C(=O)C(=C)N(C3=O)c4cncc5c4cccc5)Cl −11.0 ± 0.5 8.0 ± 0.4
13 ALP-POS-ecbed2ba-14 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC#N −11.0 ± 0.4 8.0 ± 0.3
14 EDJ-MED-b6c6ee2b-1 molecule CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OCCN(C)C)Cl −10.9 ± 0.4 8.0 ± 0.3
15 PET-UNK-aa57768f-1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nnco6 −10.9 ± 0.2 7.9 ± 0.1
16 EDJ-MED-0d144977-4 molecule Cn1c(ncn1)CN2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −10.9 ± 0.3 7.9 ± 0.2
17 MAT-POS-b4d6b7fc-7 molecule CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4ccc(c5)NS(=O)(=O)C)Cl −10.8 ± 0.2 7.9 ± 0.1
18 MAT-POS-e75f6e44-9 molecule C[C@H](C1CC1)NC(=O)CN2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −10.8 ± 0.2 7.9 ± 0.2
19 EDJ-MED-9f4ac58c-1 molecule c1cc2c(cc1Cl)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −10.8 ± 0.4 7.8 ± 0.3
20 MAT-POS-566864e2-1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6CC6 −10.7 ± 0.4 7.8 ± 0.3
21 PET-UNK-aa57768f-7 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nnco6 −10.7 ± 0.2 7.8 ± 0.1
22 EDJ-MED-0d144977-1 molecule Cc1[nH]cc(n1)CN2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −10.6 ± 0.4 7.7 ± 0.3
23 EDJ-MED-0d144977-2 molecule Cn1cncc1CN2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −10.6 ± 0.3 7.7 ± 0.2
24 MAT-POS-96396902-1 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)Cc6nncs6 −10.6 ± 0.7 7.7 ± 0.5
25 ALP-POS-c3a90b22-8 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CS(=O)(=O)CC6(CC6)C#N −10.5 ± 0.4 7.7 ± 0.3
26 VLA-UNK-e334495f-4 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)c5cc(ccc5CN(C4C(F)F)S(=O)(=O)CC6(CC6)C#N)Cl −10.5 ± 0.4 7.7 ± 0.3
27 EDJ-MED-a12e3a20-1 molecule c1ccc2c(c1)cncc2N3CC(=O)C4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −10.5 ± 0.9 7.7 ± 0.7
28 PET-UNK-c6bcc80b-12 molecule CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cc(c(c5)NS(=O)(=O)C)F)Cl −10.5 ± 0.3 7.7 ± 0.2
29 MAT-POS-e75f6e44-7 molecule CN(C)C1(CC1)CNC(=O)CN2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −10.5 ± 0.2 7.7 ± 0.1
30 EDJ-MED-b6c6ee2b-2 molecule CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OC)Cl −10.4 ± 0.1 7.59 ± 0.10
31 MAT-POS-e75f6e44-11 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)C#N −10.4 ± 0.3 7.6 ± 0.2
32 EDJ-MED-cc48ee33-7 molecule Cn1c(ccn1)CN2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −10.4 ± 0.3 7.6 ± 0.2
33 EDJ-MED-59d5ca70-1 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)C6(CC6)C(=O)NCC7CC7 −10.4 ± 0.2 7.6 ± 0.2
34 EDJ-MED-33064c06-15 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NC6(CC6)C#N −10.4 ± 0.3 7.6 ± 0.2
35 MAT-POS-50a80394-6 molecule CC(C)C1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 −10.4 ± 0.3 7.6 ± 0.2
36 PET-UNK-94036022-7 molecule CNC(=O)CN1Cc2ccc(cc2[C@]3(C1)C(=O)C(=C)N(C3=O)c4cncc5c4cccc5)Cl −10.3 ± 0.5 7.5 ± 0.4
37 ALP-POS-ecbed2ba-12 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6CC6 −10.3 ± 0.2 7.5 ± 0.2
38 LUO-POS-868e8996-12 molecule CNC(=O)CN1Cc2ccc(cc2[C@@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −10.3 ± 0.2 7.5 ± 0.2
39 PET-UNK-37c7074c-2 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6ccon6 −10.3 ± 0.1 7.5 ± 0.1
40 LUO-POS-e1dab717-4 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)Cl)c6cc(ccc6C2=O)Cl −10.3 ± 0.3 7.5 ± 0.2
41 EDJ-MED-6b23330e-1 molecule CC(C)CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −10.3 ± 0.3 7.5 ± 0.2
42 EDJ-MED-5cd3920d-4 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)C(F)F)c6cc(ccc6C2=O)Cl −10.2 ± 0.4 7.5 ± 0.3
43 EDJ-MED-7d88f880-1 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3ccc(c4)S(=N)(=O)C)c5cc(ccc5C1=O)Cl −10.2 ± 0.4 7.4 ± 0.3
44 MAT-POS-be048f2c-5 molecule CCn1c(ccn1)C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −10.2 ± 0.3 7.4 ± 0.2
45 EDJ-MED-9f4ac58c-5 molecule COC1(CC1)CS(=O)(=O)N2CC3(CCN(C3=O)c4cncc5c4ccc(c5)Cl)c6cc(ccc6C2=O)Cl −10.2 ± 0.8 7.4 ± 0.6
46 MAT-POS-e48723dc-2 molecule CNC(=O)C1(CC1)N2C[C@@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −10.2 ± 0.3 7.4 ± 0.2
47 PET-UNK-37c7074c-4 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6ccon6 −10.2 ± 0.1 7.4 ± 0.1
48 EDJ-MED-4cb9dd84-2 molecule c1cc2cncc(c2cc1Cl)N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6CC6 −10.2 ± 0.2 7.4 ± 0.1
49 LUO-POS-8c3e556a-1 molecule CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(cc4)Cl)c5cc(ccc5C1=O)Cl −10.1 ± 0.3 7.4 ± 0.2
50 MAT-POS-b4d6b7fc-5 molecule CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl −10.1 ± 0.2 7.4 ± 0.1
51 EDJ-MED-a12e3a20-2 molecule CNC(=O)CN1CC2(c3cc(ccc3C1=O)Cl)C(=O)CN(C2=O)c4cncc5c4cccc5 −10.1 ± 0.3 7.4 ± 0.2
52 EDJ-MED-33064c06-9 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6COC6 −10.0 ± 0.2 7.3 ± 0.2
53 MAT-POS-566864e2-2 molecule c1ccc2c(c1)cncc2N3CC[C@]4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6CC6 −10.0 ± 0.3 7.3 ± 0.2
54 EDJ-MED-4cb9dd84-3 molecule c1cc2cncc(c2cc1Cl)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6CC6 −10.0 ± 0.3 7.3 ± 0.2
55 EDJ-MED-b6c6ee2b-7 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)F)c6cc(ccc6C2=O)Cl −10.0 ± 0.3 7.3 ± 0.2
56 PET-UNK-37c7074c-3 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6ccno6 −10.0 ± 0.2 7.3 ± 0.1
57 PET-UNK-37c7074c-1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6ccno6 −10.0 ± 0.2 7.3 ± 0.1
58 ALP-POS-c3a90b22-7 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CS(=O)(=O)CC6(CC6)C#N −9.9 ± 0.3 7.2 ± 0.2
59 MAT-POS-c7726e07-6 molecule CNC(=O)CN1Cc2ccc(cc2[C@@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −9.9 ± 0.2 7.2 ± 0.1
60 ALP-POS-c3a90b22-4 molecule CNC(=O)C1(COC1)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −9.9 ± 0.3 7.2 ± 0.2
61 EDJ-MED-cc48ee33-5 molecule Cc1cc(n(n1)C)C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −9.9 ± 0.4 7.2 ± 0.3
62 EDJ-MED-33064c06-8 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6(CC6)O −9.9 ± 0.3 7.2 ± 0.2
63 EDJ-MED-33064c06-2 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6(CC6)N −9.9 ± 0.2 7.2 ± 0.2
64 EDJ-MED-5cd3920d-3 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OC(F)F)c6cc(ccc6C2=O)Cl −9.9 ± 0.5 7.2 ± 0.3
65 MAT-POS-576f7758-2 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −9.8 ± 0.3 7.2 ± 0.2
66 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 ± 0.6 7.2 ± 0.5
67 MAT-POS-ddfe83c6-6 molecule CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cc(cc5)Cl)Cl −9.84 ± 0.06 7.17 ± 0.04
68 LUO-POS-b4dec3be-1 molecule CNC(=O)CN1Cc2ccc(cc2[C@@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl −9.8 ± 0.1 7.16 ± 0.09
69 PET-UNK-14142a25-1 molecule CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.8 ± 0.3 7.2 ± 0.2
70 PET-UNK-7e9559de-4 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)Cc6nncs6 −9.8 ± 0.3 7.1 ± 0.2
71 MAT-POS-e75f6e44-2 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)F −9.8 ± 0.4 7.1 ± 0.3
72 ALP-POS-c3a90b22-5 molecule CNC(=O)CCN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.7 ± 0.4 7.1 ± 0.3
73 EDJ-MED-33064c06-16 molecule COC1(CC1)CNC(=O)CN2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −9.7 ± 0.4 7.1 ± 0.3
74 EDJ-MED-976a33d5-1 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −9.7 ± 0.3 7.1 ± 0.2
75 ALP-POS-c3a90b22-12 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6COC6 −9.7 ± 0.2 7.1 ± 0.2
76 LUO-POS-e1dab717-2 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −9.7 ± 0.3 7.1 ± 0.2
77 MAT-POS-853c0ffa-15 molecule CS(=O)(=O)c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.7 ± 0.1 7.05 ± 0.10
78 EDJ-MED-4cb9dd84-1 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6CC6 −9.6 ± 0.2 7.0 ± 0.2
79 MAT-POS-e75f6e44-5 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)N −9.6 ± 0.4 7.0 ± 0.3
80 EDJ-MED-40e596c8-1 molecule CNS(=O)(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −9.6 ± 0.4 7.0 ± 0.3
81 PET-UNK-7e9559de-1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)Cc6nncs6 −9.5 ± 0.3 6.9 ± 0.2
82 VLA-UNK-5d8210f0-1 molecule CNC(=O)CN1Cc2c(cc(cc2F)Cl)C3(C1)CCN(C3=O)c4cncc5c4cccc5 −9.5 ± 0.1 6.9 ± 0.1
83 LUO-POS-b4dec3be-2 molecule CNC(=O)CN1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl −9.51 ± 0.07 6.92 ± 0.05
84 MAT-POS-69786b79-4 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NC6(CC6)C#N −9.5 ± 0.2 6.9 ± 0.2
85 VLA-UNK-61877630-9 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)c5cc(ccc5CN(C4C(F)(F)F)S(=O)(=O)CC6(CC6)C#N)Cl −9.5 ± 0.4 6.9 ± 0.3
86 EDJ-MED-9f4ac58c-8 molecule COC1(CC1)CS(=O)(=O)N2CC3(CCN(C3=O)c4cncc5c4ccc(c5)S(=O)(=O)C)c6cc(ccc6C2=O)Cl −9.5 ± 0.8 6.9 ± 0.6
87 MAT-POS-69786b79-3 molecule CC1(CC1)NC(=O)CN2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −9.5 ± 0.1 6.9 ± 0.1
88 EDG-MED-b1ef7fe3-1 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)Cl)c5cc(ccc5C1=O)Cl −9.5 ± 0.1 6.89 ± 0.09
89 EDJ-MED-9f4ac58c-2 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.4 ± 0.6 6.9 ± 0.4
90 EDJ-MED-40e596c8-2 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CS(=O)(=O)NCC6CC6 −9.4 ± 0.6 6.9 ± 0.4
91 LUO-POS-868e8996-11 molecule CNC(=O)CN1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −9.41 ± 0.07 6.86 ± 0.05
92 EDJ-MED-8bb691af-4 molecule CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −9.40 ± 0.08 6.84 ± 0.05
93 LUO-POS-8c3e556a-2 molecule CNC(=O)CN1C[C@@]2(CCN(C2=O)c3cncc4c3cc(cc4)Cl)c5cc(ccc5C1=O)Cl −9.4 ± 0.3 6.8 ± 0.2
94 MAT-POS-50a80394-5 molecule CCC1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 −9.4 ± 0.2 6.8 ± 0.1
95 MAT-POS-c7726e07-5 molecule CNC(=O)CN1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −9.36 ± 0.06 6.82 ± 0.04
96 MAT-POS-e75f6e44-14 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6COC6 −9.4 ± 0.3 6.8 ± 0.2
97 EDJ-MED-98c0a822-4 molecule CNC(=O)C1(COC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −9.3 ± 0.3 6.8 ± 0.3
98 MAT-POS-e75f6e44-15 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6(CCC6)F −9.3 ± 0.5 6.8 ± 0.3
99 EDJ-MED-33064c06-17 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6(CC6)C#N −9.3 ± 0.3 6.8 ± 0.2
100 EDJ-MED-33064c06-7 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4ccc(c5)S(=O)(=O)C)c6cc(ccc6C2=O)Cl −9.3 ± 0.1 6.78 ± 0.09
Last updated 2022-02-23T08:07:37.718662+00:00
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