Ligand |
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| Ligand Name: 5-(cyclopropylmethyl)-7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-8-methylnaphthalene-2-carbonitrile | ||
| HET ID: UO4 | PubChem: 129908313 | |
| DrugBank: - | ChEMBL: CHEMBL3985848 | |
| Canonical SMILES: N#Cc1ccc2c(c1)c(C)c(cc2CC1CC1)Oc1ccccc1OCCn1ccc(=O)[nH]c1=O | ||
| Standard InChI: InChI=1S/C28H25N3O4/c1-18-23-15-20(17-29)8-9-22(23)21(14-19-6-7-19)16-26(18)35-25-5-3-2-4-24(25)34-13-12-31-11-10-27(32)30-28(31)33/h2-5,8-11,15-16,19H,6-7,12-14H2,1H3,(H,30,32,33) | ||
| Molecular Formula: C28H25N3O4 | Mol. Weight: 467.5158 | Heavy Atoms: 35 |
| Charge: 0 | Is Chiral: False | logP: 4.69368 |
| HBD: 1 | HBA: 6 | TPSA: 97.11 |
| #Bonds: 40 | #Rotatable Bonds: 8 | Shape Complexity: 0.25925925 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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