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Ligand Download |
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| Ligand Name: 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-7-fluoronaphthalene-2-carbonitrile | ||
| HET ID: 7N1 | PubChem: 118006011 | |
| DrugBank: - | ChEMBL: CHEMBL3342991 | |
| Canonical SMILES: N#Cc1ccc2c(c1)cc(cc2Oc1ccc(cc1OCCn1ccc(=O)[nH]c1=O)F)F | ||
| Standard InChI: InChI=1S/C23H15F2N3O4/c24-16-2-4-19(21(11-16)31-8-7-28-6-5-22(29)27-23(28)30)32-20-12-17(25)10-15-9-14(13-26)1-3-18(15)20/h1-6,9-12H,7-8H2,(H,27,29,30) | ||
| Molecular Formula: C23H15F2N3O4 | Mol. Weight: 435.3797 | Heavy Atoms: 32 |
| Charge: 0 | Is Chiral: False | logP: 3.71098 |
| HBD: 1 | HBA: 6 | TPSA: 97.11 |
| #Bonds: 36 | #Rotatable Bonds: 6 | Shape Complexity: 0.09090909 |
| Stereocomplexity: 0.0 | ||