Ligand |
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| Ligand Name: N-benzyl-2-cyanopyrimidine-5-carboxamide | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB159 | PubChem: 118711629 | |
Synonym(s):
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| DrugBank: - | ChEMBL: CHEMBL3326421 | |
| Canonical SMILES: N#Cc1ncc(cn1)C(=O)NCc2ccccc2 | ||
| Standard InChI: InChI=1S/C13H10N4O/c14-6-12-15-8-11(9-16-12)13(18)17-7-10-4-2-1-3-5-10/h1-5,8-9H,7H2,(H,17,18) | ||
| Molecular Formula: C13H10N4O | Mol. Weight: 238.08546 | logP: 1.27828 |
| HBD: 1 | HBA: 4 | |
| #Rotatable Bonds: 3 | TPSA: 78.67 | |