Molecular Properties | |
SMILES: | CCc1nnc(NC(=O)CSc2nc(C)cc(C)c2C#N)s1 |
MW: | 333.07 |
Fraction sp3: | 0.36 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 91.56 |
cLogP: | 2.71 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7102620793 |
MolPort: | MolPort-002-183-420 |
MAR-TRE-a3327163-29
0.652
MAR-TRE-1c920f6f-100
0.581
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MAR-TRE-0fda4e82-30
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MAR-TRE-a3327163-88
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MAR-TRE-a3327163-11
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MAR-TRE-0fda4e82-68
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MAR-TRE-6c5ef77a-33
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MAR-TRE-0fda4e82-36
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MAR-TRE-1c920f6f-95
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MAR-TRE-a3327163-6
0.500
MAR-TRE-a3327163-8
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MAR-TRE-a3327163-21
0.486
MAR-TRE-a3327163-25
0.479
MAR-TRE-1c920f6f-29
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MAR-TRE-1c920f6f-53
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MAR-TRE-1c920f6f-94
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MAR-TRE-6c5ef77a-29
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MAR-TRE-6c5ef77a-28
0.435
MAR-TRE-1c920f6f-81
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MAR-TRE-14ce9fd6-50
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MAR-TRE-6c5ef77a-19
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MAR-TRE-6c5ef77a-68
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MAR-TRE-14ce9fd6-77
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MAR-TRE-a3327163-18
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MAR-TRE-6c5ef77a-26
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MAR-TRE-6c5ef77a-17
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MAR-TRE-1c920f6f-70
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MAR-TRE-6c5ef77a-32
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MAR-TRE-14ce9fd6-57
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MAR-TRE-a3327163-41
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MAR-TRE-6c5ef77a-9
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MAR-TRE-6c5ef77a-18
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MAR-TRE-14ce9fd6-23
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MAR-TRE-6c5ef77a-14
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MAR-TRE-6c5ef77a-47
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MAR-TRE-0fda4e82-42
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MAR-TRE-1c920f6f-58
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MAR-TRE-a3327163-30
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MAR-TRE-0fda4e82-59
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MAR-TRE-0fda4e82-63
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MAR-TRE-6c5ef77a-20
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MAR-TRE-a3327163-82
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MAR-TRE-a3327163-15
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MAR-TRE-6c5ef77a-74
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MAR-TRE-6c5ef77a-5
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MAR-TRE-0fda4e82-60
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LON-WEI-4d77710c-73
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MAR-TRE-0fda4e82-100
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MAR-TRE-a3327163-50
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MAR-TRE-a3327163-24
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MAR-TRE-1c920f6f-30
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MAR-TRE-14ce9fd6-53
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MAR-TRE-a3327163-37
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MAR-TRE-6c5ef77a-22
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MAR-TRE-a3327163-20
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MAR-TRE-0fda4e82-96
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MAR-TRE-0fda4e82-22
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MAR-TRE-0fda4e82-21
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MAR-TRE-e82e6c98-87
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MAR-TRE-a3327163-71
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MAR-TRE-6c5ef77a-48
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MAR-TRE-0fda4e82-67
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MAR-TRE-0fda4e82-8
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MAR-TRE-6c5ef77a-31
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MAR-TRE-0fda4e82-69
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MAR-TRE-1c920f6f-1
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MAR-TRE-14ce9fd6-27
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MAR-TRE-0fda4e82-81
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MAR-TRE-1c920f6f-12
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MAR-TRE-6c5ef77a-24
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MAR-TRE-74c6519b-44
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MAR-TRE-1c920f6f-26
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MAR-TRE-6c5ef77a-27
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MAR-TRE-6c5ef77a-92
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MAR-TRE-0fda4e82-43
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MAR-TRE-0fda4e82-38
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MAR-TRE-0fda4e82-19
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MAR-TRE-1c920f6f-4
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MAR-TRE-6c5ef77a-96
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MAR-TRE-0fda4e82-18
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MAR-TRE-14ce9fd6-43
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MAR-TRE-6c5ef77a-16
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MAR-TRE-a3327163-92
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MAR-TRE-1c920f6f-41
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MAR-TRE-a3327163-10
0.271
MAR-TRE-a3327163-61
0.270
MAR-TRE-0fda4e82-47
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MAR-TRE-fd17a9b8-43
0.268
MAR-TRE-6c5ef77a-55
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