Ligand |
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| Ligand Name: 5-chloro-7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-8-methyl-2-naphthonitrile | ||
| HET ID: 7AY | PubChem: 123132914 | |
| DrugBank: - | ChEMBL: CHEMBL3937452 | |
| Canonical SMILES: N#Cc1ccc2c(c1)c(C)c(cc2Cl)Oc1ccccc1OCCn1ccc(=O)[nH]c1=O | ||
| Standard InChI: InChI=1S/C24H18ClN3O4/c1-15-18-12-16(14-26)6-7-17(18)19(25)13-22(15)32-21-5-3-2-4-20(21)31-11-10-28-9-8-23(29)27-24(28)30/h2-9,12-13H,10-11H2,1H3,(H,27,29,30) | ||
| Molecular Formula: C24H18ClN3O4 | Mol. Weight: 447.87042 | Heavy Atoms: 32 |
| Charge: 0 | Is Chiral: False | logP: 4.39458 |
| HBD: 1 | HBA: 6 | TPSA: 97.11 |
| #Bonds: 36 | #Rotatable Bonds: 6 | Shape Complexity: 0.13043478 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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