Ligand |
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| Ligand Name: CP12 | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB896 | PubChem: 145979714 | |
Synonym(s):
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| DrugBank: - | ChEMBL: CHEMBL4281393 | |
| Canonical SMILES: N#CN[C@H]1CCc(c12)ccc(c2)-c(ncn3)c(c34)cc[nH]4 | ||
| Standard InChI: InChI=1S/C16H13N5/c17-8-19-14-4-3-10-1-2-11(7-13(10)14)15-12-5-6-18-16(12)21-9-20-15/h1-2,5-7,9,14,19H,3-4H2,(H,18,20,21)/t14-/m0/s1 | ||
| Molecular Formula: C16H13N5 | Mol. Weight: 275.1171 | logP: 2.68288 |
| HBD: 2 | HBA: 4 | |
| #Rotatable Bonds: 2 | TPSA: 77.39 | |