Ligand |
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| Ligand Name: CR161 | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB1265 | PubChem: - | |
| Synonym(s): - | ||
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: OB(CNS(=O)(=O)c1ccc(nc1)-c1nnn[nH]1)OP(O)(O)=O | ||
| Standard InChI: InChI=1S/C7H10BN6O7PS/c15-8(21-22(16,17)18)4-10-23(19,20)5-1-2-6(9-3-5)7-11-13-14-12-7/h1-3,10,15H,4H2,(H2,16,17,18)(H,11,12,13,14) | ||
| Molecular Formula: C7H10BN6O7PS | Mol. Weight: 364.01624 | logP: -2.331 |
| HBD: 5 | HBA: 9 | |
| #Rotatable Bonds: 7 | TPSA: 200.51 | |