Molecular Properties | |
SMILES: | CSc1nsc(SCC(=O)Nc2ccc(C#N)cc2)n1 |
MW: | 322.0 |
Fraction sp3: | 0.17 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 78.67 |
cLogP: | 2.86 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1636161352 |
MolPort: | MolPort-002-023-380 |
MAR-TRE-0fda4e82-81
0.606
MAR-TRE-a3327163-53
0.529
MAR-TRE-a3327163-42
0.529
MAR-TRE-a3327163-43
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MAR-TRE-0fda4e82-14
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MAR-TRE-0fda4e82-56
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MAR-TRE-0fda4e82-11
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MAR-TRE-1c920f6f-75
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MAR-TRE-1c920f6f-45
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MAR-TRE-1c920f6f-65
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MAR-TRE-1c920f6f-97
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MAR-TRE-1c920f6f-20
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MAR-TRE-6c5ef77a-35
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MAR-TRE-6c5ef77a-74
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MAR-TRE-6c5ef77a-92
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MAR-TRE-0fda4e82-31
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MAR-TRE-6c5ef77a-16
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MAR-TRE-0fda4e82-96
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MAR-TRE-1c920f6f-100
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MAR-TRE-6c5ef77a-67
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MAR-TRE-a3327163-88
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MAR-TRE-a3327163-40
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MAR-TRE-6c5ef77a-12
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MAR-TRE-a3327163-82
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MAR-TRE-6c5ef77a-58
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MAR-TRE-f5c2d31c-10
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MAR-TRE-a3327163-71
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MAR-TRE-6c5ef77a-66
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MAR-TRE-0fda4e82-76
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MAR-TRE-14ce9fd6-78
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MAR-TRE-14ce9fd6-59
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MAR-TRE-6c5ef77a-64
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MAR-TRE-a3327163-54
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MAR-TRE-6c5ef77a-32
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MAR-TRE-1c920f6f-95
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MAR-TRE-a3327163-50
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MAR-TRE-1c920f6f-47
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MAR-TRE-0fda4e82-72
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MAR-TRE-f5c2d31c-6
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MAR-TRE-6c5ef77a-47
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MAR-TRE-f5c2d31c-44
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ANN-UNI-26382800-3
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JOH-UNK-14e6adc5-2
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MAR-TRE-a3327163-48
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MAR-TRE-14ce9fd6-68
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MAR-TRE-f5c2d31c-76
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MAR-TRE-0fda4e82-94
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MAR-TRE-1c920f6f-19
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MAR-TRE-14ce9fd6-7
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MAR-TRE-6c5ef77a-24
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MAR-TRE-1c920f6f-42
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MAR-TRE-14ce9fd6-6
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MAR-TRE-14ce9fd6-37
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MAR-TRE-0fda4e82-77
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MAR-TRE-f5c2d31c-17
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MAR-TRE-14ce9fd6-27
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MAR-TRE-14ce9fd6-61
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MAR-TRE-a3327163-20
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MAR-TRE-0fda4e82-59
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MAR-TRE-0fda4e82-100
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MAR-TRE-1c920f6f-30
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MAR-TRE-14ce9fd6-43
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MAR-TRE-14ce9fd6-55
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MAR-TRE-6c5ef77a-45
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MAR-TRE-f5c2d31c-97
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MAR-TRE-a3327163-61
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MAR-TRE-6c5ef77a-17
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MAR-TRE-0fda4e82-47
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MAR-TRE-a3327163-37
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MAR-TRE-1c920f6f-26
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MAR-TRE-6c5ef77a-51
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MAR-TRE-a3327163-35
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MAR-TRE-6c5ef77a-46
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MAR-TRE-0fda4e82-84
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MAR-TRE-1c920f6f-41
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MAR-TRE-fd17a9b8-97
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MAK-UNK-f983951f-23
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MAR-TRE-1c920f6f-44
0.264
MAR-TRE-0fda4e82-60
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MAR-TRE-6c5ef77a-55
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MAR-TRE-7f7bb9f0-20
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MAR-TRE-f5c2d31c-15
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MAR-TRE-a3327163-24
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MAR-TRE-6c5ef77a-26
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MAR-TRE-0fda4e82-29
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MAR-TRE-0fda4e82-67
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MAR-TRE-a3327163-92
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MAR-TRE-a3327163-46
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MAR-TRE-14ce9fd6-62
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MAR-TRE-6c5ef77a-25
0.250
KEN-ILL-f8fa3277-4
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MAR-TRE-6c5ef77a-14
0.250
PET-SGC-708ec5d8-1
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MAR-TRE-a3327163-29
0.247
RAL-THA-2d450e86-5
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MAR-TRE-1c920f6f-4
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BEN-DND-61647d40-1
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MAR-TRE-0fda4e82-90
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MAR-TRE-6c5ef77a-22
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MAR-TRE-1c920f6f-91
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