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Ligand Download |
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| Ligand Name: 3-azanyl-4-(pyridin-3-ylmethylamino)benzoic acid | ||
| HET ID: S1J | PubChem: 808765 | |
| DrugBank: - | ChEMBL: CHEMBL242279 | |
| Canonical SMILES: Nc1cc(ccc1NCc1cccnc1)C(=O)O | ||
| Standard InChI: InChI=1S/C13H13N3O2/c14-11-6-10(13(17)18)3-4-12(11)16-8-9-2-1-5-15-7-9/h1-7,16H,8,14H2,(H,17,18) | ||
| Molecular Formula: C13H13N3O2 | Mol. Weight: 243.26122 | Heavy Atoms: 18 |
| Charge: 0 | Is Chiral: False | logP: 2.6283 |
| HBD: 3 | HBA: 5 | TPSA: 88.24 |
| #Bonds: 19 | #Rotatable Bonds: 4 | Shape Complexity: 0.07692308 |
| Stereocomplexity: 0.0 | ||