Bioactive Compound Details

BioIDbio199129
NameNone
ChEMBL IDCHEMBL1765143
Molecular FormulaC34H32FN3O5
Molecular Weight581.64
Molecular Weight (Monoisotopic)581.2326
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-fluoroelacridar
SmilesCOc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cc(F)cc4c(=O)c5cccc(OC)c5[nH]c34)cc1)CC2
InchiInChI=1S/C34H32FN3O5/c1-41-28-6-4-5-25-32(28)37-31-26(33(25)39)17-23(35)18-27(31)34(40)36-24-9-7-20(8-10-24)11-13-38-14-12-21-15-29(42-2)30(43-3)16-22(21)19-38/h4-10,15-18H,11-14,19H2,1-3H3,(H,36,40)(H,37,39)
Inchi KeyNFWZREKCNOYOJH-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities2.0
Np Likeness Score-0.77
Records Key['4e, 2-fluoroelacridar']
Records Name['N-(4-(2-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl)phenyl)-2-fluoro-5-methoxyacridone-4-carboxamide']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure