Ligand |
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| Ligand Name: 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-6-fluoroindolizine-2-carbonitrile | ||
| HET ID: H9Y | PubChem: 73292074 | |
| DrugBank: - | ChEMBL: CHEMBL3342978 | |
| Canonical SMILES: N#Cc1cn2c(c1)c(cc(c2)F)Oc1ccc(cc1OCCn1ccc(=O)[nH]c1=O)F | ||
| Standard InChI: InChI=1S/C21H14F2N4O4/c22-14-1-2-17(19(8-14)30-6-5-26-4-3-20(28)25-21(26)29)31-18-9-15(23)12-27-11-13(10-24)7-16(18)27/h1-4,7-9,11-12H,5-6H2,(H,25,28,29) | ||
| Molecular Formula: C21H14F2N4O4 | Mol. Weight: 424.35706 | Heavy Atoms: 31 |
| Charge: 0 | Is Chiral: False | logP: 2.81048 |
| HBD: 1 | HBA: 7 | TPSA: 101.52 |
| #Bonds: 35 | #Rotatable Bonds: 6 | Shape Complexity: 0.1 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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