Molecular Properties | |
SMILES: | Cc1ccnc(SCC(=O)Nc2sccc2C#N)n1 |
MW: | 290.03 |
Fraction sp3: | 0.17 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 78.67 |
cLogP: | 2.45 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4093878049 |
MolPort: | MolPort-002-310-341 |
MAR-TRE-a3327163-35
0.586
MAR-TRE-a3327163-43
0.577
MAR-TRE-a3327163-61
0.556
MAR-TRE-1c920f6f-4
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MAR-TRE-a3327163-50
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MAR-TRE-1c920f6f-5
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MAR-TRE-0fda4e82-77
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MAR-TRE-6c5ef77a-22
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MAR-TRE-f5c2d31c-10
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MAR-TRE-6c5ef77a-14
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MAR-TRE-6c5ef77a-68
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MAR-TRE-0fda4e82-63
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MAR-TRE-a3327163-34
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MAR-TRE-a3327163-15
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MAR-TRE-6c5ef77a-43
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MAR-TRE-f5c2d31c-67
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MAR-TRE-0fda4e82-20
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MAR-TRE-6c5ef77a-20
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MAR-TRE-1c920f6f-46
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MAR-TRE-a3327163-29
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MAR-TRE-1c920f6f-7
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MAR-TRE-6c5ef77a-33
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MAR-TRE-6c5ef77a-26
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MAR-TRE-0fda4e82-38
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MAR-TRE-6c5ef77a-45
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MAR-TRE-a3327163-46
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MAR-TRE-6c5ef77a-35
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MAR-TRE-0fda4e82-89
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MAR-TRE-a3327163-24
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MAR-TRE-0fda4e82-90
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MAR-TRE-6c5ef77a-96
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MAR-TRE-14ce9fd6-43
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MAR-TRE-14ce9fd6-36
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MAR-TRE-0fda4e82-76
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MAR-TRE-14ce9fd6-27
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MAR-TRE-a3327163-82
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MAR-TRE-1c920f6f-42
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MAR-TRE-1c920f6f-12
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MAR-TRE-6c5ef77a-55
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MAR-TRE-1c920f6f-26
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MAR-TRE-0fda4e82-31
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MAR-TRE-6c5ef77a-66
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MAK-UNK-ed378e62-1
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MAR-TRE-1c920f6f-58
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MAR-TRE-a3327163-80
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MAR-TRE-1c920f6f-74
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MAR-TRE-1c920f6f-51
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MAR-TRE-1c920f6f-49
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KEI-TRE-d5e2018a-51
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MAR-TRE-d0525fbf-93
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MAR-TRE-6c5ef77a-58
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MAR-TRE-0fda4e82-1
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MAR-TRE-0fda4e82-29
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MAR-TRE-1c920f6f-45
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MAR-TRE-6c5ef77a-48
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MAR-TRE-6c5ef77a-28
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MAR-TRE-1c920f6f-53
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MAR-TRE-0fda4e82-68
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MAR-TRE-14ce9fd6-65
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MAR-TRE-a3327163-2
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MAR-TRE-0fda4e82-81
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MAR-TRE-0fda4e82-36
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MAR-TRE-f5c2d31c-75
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MAR-TRE-f5c2d31c-49
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MAR-TRE-14ce9fd6-1
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MAR-TRE-a3327163-42
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MAR-TRE-0fda4e82-12
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MAR-TRE-0fda4e82-96
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MAR-TRE-0fda4e82-43
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MAR-TRE-6c5ef77a-74
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MAR-TRE-6c5ef77a-40
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MAR-TRE-0fda4e82-67
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MAR-TRE-f5c2d31c-80
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MAR-TRE-f5c2d31c-32
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MAR-TRE-a3327163-1
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MAR-TRE-f5c2d31c-6
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MAR-TRE-1c920f6f-41
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