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Ligand Download |
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| Ligand Name: 5-(furan-2-ylmethylamino)-9-(phenylmethyl)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile | ||
| HET ID: LQF | PubChem: 29111296 | |
| DrugBank: - | ChEMBL: CHEMBL4096234 | |
| Canonical SMILES: N#Cc1c2CCN(Cc2c2n(c1NCc1ccco1)cnn2)Cc1ccccc1 | ||
| Standard InChI: InChI=1S/C22H20N6O/c23-11-19-18-8-9-27(13-16-5-2-1-3-6-16)14-20(18)22-26-25-15-28(22)21(19)24-12-17-7-4-10-29-17/h1-7,10,15,24H,8-9,12-14H2 | ||
| Molecular Formula: C22H20N6O | Mol. Weight: 384.4338 | Heavy Atoms: 29 |
| Charge: 0 | Is Chiral: False | logP: 3.37528 |
| HBD: 1 | HBA: 7 | TPSA: 82.39 |
| #Bonds: 33 | #Rotatable Bonds: 5 | Shape Complexity: 0.23809524 |
| Stereocomplexity: 0.0 | ||