 |
| 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 |
Ligand Type: Small Molecule |