Ligand |
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| Ligand Name: IMINO-TRYPTOPHAN | ||
| HET ID: ITR | PubChem: 5599 | |
| DrugBank: DB02988 | ChEMBL: - | |
| Canonical SMILES: OC(=O)C(=N)Cc1c[nH]c2c1cccc2 | ||
| Standard InChI: InChI=1S/C11H10N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,12-13H,5H2,(H,14,15) | ||
| Molecular Formula: C11H10N2O2 | Mol. Weight: 202.2093 | Heavy Atoms: 15 |
| Charge: 0 | Is Chiral: False | logP: 1.9145 |
| HBD: 3 | HBA: 3 | TPSA: 76.94 |
| #Bonds: 17 | #Rotatable Bonds: 3 | Shape Complexity: 0.09090909 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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