Ligand |
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| Ligand Name: methyl (6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)acetate | ||
| HET ID: UMV | PubChem: 146676965 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: COC(=O)Cc1cc(Oc2ccccc2OCCn2ccc(=O)[nH]c2=O)c(c2c1ccc(c2)C#N)C | ||
| Standard InChI: InChI=1S/C27H23N3O6/c1-17-21-13-18(16-28)7-8-20(21)19(15-26(32)34-2)14-24(17)36-23-6-4-3-5-22(23)35-12-11-30-10-9-25(31)29-27(30)33/h3-10,13-14H,11-12,15H2,1-2H3,(H,29,31,33) | ||
| Molecular Formula: C27H23N3O6 | Mol. Weight: 485.488 | Heavy Atoms: 36 |
| Charge: 0 | Is Chiral: False | logP: 3.45668 |
| HBD: 1 | HBA: 8 | TPSA: 123.41 |
| #Bonds: 40 | #Rotatable Bonds: 9 | Shape Complexity: 0.1923077 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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