Ligand |
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| Ligand Name: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE | ||
| HET ID: DCM | PubChem: 13945 | |
| DrugBank: DB03798 | ChEMBL: CHEMBL374699 | |
| Canonical SMILES: O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n1ccc(nc1=O)N | ||
| Standard InChI: InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 | ||
| Molecular Formula: C9H14N3O7P | Mol. Weight: 307.1971 | Heavy Atoms: 20 |
| Charge: 0 | Is Chiral: True | logP: -0.8356 |
| HBD: 4 | HBA: 10 | TPSA: 166.94 |
| #Bonds: 24 | #Rotatable Bonds: 4 | Shape Complexity: 0.5555556 |
| Stereocomplexity: 0.33333334 | Ligand Type: Small Molecule | |
Binding Affinity |
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