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Ligand Download |
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| Ligand Name: 7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile | ||
| HET ID: 7AX | PubChem: 123132913 | |
| DrugBank: - | ChEMBL: CHEMBL3983638 | |
| Canonical SMILES: N#Cc1ccc2c(c1)cc(cc2)Oc1ccccc1OCCn1ccc(=O)[nH]c1=O | ||
| Standard InChI: InChI=1S/C23H17N3O4/c24-15-16-5-6-17-7-8-19(14-18(17)13-16)30-21-4-2-1-3-20(21)29-12-11-26-10-9-22(27)25-23(26)28/h1-10,13-14H,11-12H2,(H,25,27,28) | ||
| Molecular Formula: C23H17N3O4 | Mol. Weight: 399.39877 | Heavy Atoms: 30 |
| Charge: 0 | Is Chiral: False | logP: 3.43278 |
| HBD: 1 | HBA: 6 | TPSA: 97.11 |
| #Bonds: 34 | #Rotatable Bonds: 6 | Shape Complexity: 0.09090909 |
| Stereocomplexity: 0.0 | ||