Ligand |
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| Ligand Name: 5'-CHLORO-5'-DEOXYADENOSINE | ||
| HET ID: 5CD | PubChem: 5327118 | |
| DrugBank: - | ChEMBL: CHEMBL404658 | |
| Canonical SMILES: ClC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | ||
| Standard InChI: InChI=1S/C10H12ClN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1 | ||
| Molecular Formula: C10H12ClN5O3 | Mol. Weight: 285.68698 | Heavy Atoms: 19 |
| Charge: 0 | Is Chiral: True | logP: -0.1523 |
| HBD: 3 | HBA: 8 | TPSA: 119.31 |
| #Bonds: 25 | #Rotatable Bonds: 2 | Shape Complexity: 0.5 |
| Stereocomplexity: 0.4 | Ligand Type: Small Molecule | |
Binding Affinity |
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