Molecular Properties | |
SMILES: | Cc1cc(O)nc(SCc2cccc(C#N)c2)n1 |
MW: | 257.06 |
Fraction sp3: | 0.15 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 69.8 |
cLogP: | 2.65 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5724031831 |
MolPort: | MolPort-004-369-987 |
MAR-TRE-14ce9fd6-31
0.432
MAR-TRE-14ce9fd6-25
0.395
MAR-TRE-1c920f6f-34
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MAR-TRE-14ce9fd6-28
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MAR-TRE-14ce9fd6-16
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MAR-TRE-14ce9fd6-41
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MAR-TRE-14ce9fd6-10
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MAR-TRE-f5c2d31c-84
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MAR-TRE-f5c2d31c-49
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MAR-TRE-f5c2d31c-44
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MAR-TRE-f5c2d31c-100
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MIH-UNI-6b9ca91a-5
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MAR-TRE-f5c2d31c-69
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MAR-TRE-f5c2d31c-75
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PAT-UNK-b2d83456-1
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MAR-TRE-14ce9fd6-29
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TRY-UNI-714a760b-20
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ALP-POS-95b75b4d-12
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TRY-UNI-714a760b-19
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MAR-TRE-14ce9fd6-35
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RAL-THA-2d450e86-12
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ANN-UNI-26382800-5
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MAR-TRE-0fda4e82-79
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MAT-POS-ee51dedd-1
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MAR-TRE-14ce9fd6-50
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SAD-SAT-24589cd1-5
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SAD-SAT-24589cd1-3
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MAK-UNK-10dfa458-41
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ALP-POS-95b75b4d-13
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MAR-TRE-14ce9fd6-44
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MAK-UNK-10dfa458-40
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MIC-UNK-2744a8e2-1
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MAR-TRE-14ce9fd6-77
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AAR-UNI-c25c2f1e-56
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TRY-UNI-9f475305-6
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SAD-SAT-24589cd1-1
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MAR-TRE-a3327163-37
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SEA-TRI-f93fcab4-1
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MAR-TRE-14ce9fd6-90
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MAK-UNK-10dfa458-42
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MIC-UNK-2744a8e2-2
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SAD-SAT-c989feaa-2
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DAR-DIA-23aa0b97-4
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SAD-SAT-24589cd1-10
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MAR-TRE-14ce9fd6-93
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MIC-UNK-2744a8e2-8
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MAR-TRE-f5c2d31c-65
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SEA-TRI-ec70a9dd-1
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SAD-SAT-24589cd1-6
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MAR-TRE-1c920f6f-53
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MAR-TRE-1c920f6f-29
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MAR-TRE-a3327163-30
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MAR-TRE-14ce9fd6-13
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MAR-TRE-14ce9fd6-24
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MAR-TRE-0fda4e82-23
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MAR-TRE-f6f5f473-41
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MED-COV-4280ac29-36
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BEN-DND-61647d40-8
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MAR-TRE-0fda4e82-12
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NAU-LAT-b0463c38-8
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MIC-UNK-2744a8e2-6
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MAR-TRE-14ce9fd6-97
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TRY-UNI-714a760b-22
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MAR-TRE-14ce9fd6-73
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