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Ligand Download |
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| Ligand Name: [4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-phenyl]methanamine | ||
| HET ID: EJE | PubChem: 138115329 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: NCc1cc(C)c(c(c1)C)c1ncn(c1c1ccnc2c1ccc(c2)F)C | ||
| Standard InChI: InChI=1S/C22H21FN4/c1-13-8-15(11-24)9-14(2)20(13)21-22(27(3)12-26-21)18-6-7-25-19-10-16(23)4-5-17(18)19/h4-10,12H,11,24H2,1-3H3 | ||
| Molecular Formula: C22H21FN4 | Mol. Weight: 360.42734 | Heavy Atoms: 27 |
| Charge: 0 | Is Chiral: False | logP: 5.2172 |
| HBD: 1 | HBA: 4 | TPSA: 56.73 |
| #Bonds: 30 | #Rotatable Bonds: 3 | Shape Complexity: 0.18181819 |
| Stereocomplexity: 0.0 | ||