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| Ligand Name: (1R,2R)-N-(Cyanomethyl)-5,5-difluoro-[4'-(methylthio)-1,1'-biphenyl-2-yl]cyclohexanecarboxamide |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1149 |
PubChem:
10308941
|
Synonym(s):
- schembl4613102
- (1r,2r)-n-(cyanomethyl)-2-[(4-methoxyphenyl)sulfonylmethyl]cyclohexane-1-carboxamide
show 1 synonym(s)
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| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: COc1ccc(cc1)S(=O)(=O)C[C@@H]2CCCC[C@H]2C(=O)NCC#N |
| Standard InChI: InChI=1S/C17H22N2O4S/c1-23-14-6-8-15(9-7-14)24(21,22)12-13-4-2-3-5-16(13)17(20)19-11-10-18/h6-9,13,16H,2-5,11-12H2,1H3,(H,19,20)/t13-,16+/m0/s1 |
| Molecular Formula: C17H22N2O4S |
Mol. Weight: 350.13004 |
logP: 1.91508 |
| HBD: 1 | HBA: 5 |
| #Rotatable Bonds: 6 | TPSA: 96.26 |