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Ligand Download |
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| Ligand Name: 4-{[(Z)-(5-OXO-2-PHENYL-1,3-OXAZOL-4(5H)-YLIDENE)METHYL]AMINO}BUTANOIC ACID | ||
| HET ID: PHX | PubChem: 67360018, 135431471 | |
| DrugBank: DB08396 | ChEMBL: - | |
| Canonical SMILES: c1ccc(cc1)C2=NC(=CNCCCC(=O)O)C(=O)O2 | ||
| Standard InChI: InChI=1S/C14H14N2O4/c17-12(18)7-4-8-15-9-11-14(19)20-13(16-11)10-5-2-1-3-6-10/h1-3,5-6,9,15H,4,7-8H2,(H,17,18)/b11-9+ | ||
| Molecular Formula: C14H14N2O4 | Mol. Weight: 274.27197 | Heavy Atoms: 20 |
| Charge: 0 | Is Chiral: False | logP: 1.1123 |
| HBD: 2 | HBA: 6 | TPSA: 87.99 |
| #Bonds: 21 | #Rotatable Bonds: 6 | Shape Complexity: 0.21428572 |
| Stereocomplexity: 0.0 | ||