Bioactive Compound Details

BioIDbio197759
NameN-(6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-2,2-DIMETHYL-3,4-DIHYDRO-2H-PYRANO[2,3-B]PYRIDIN-4-YL)-2-HYDROXYACETAMIDE (ENANTIOMERIC MIX)
ChEMBL IDCHEMBL1083014
Molecular FormulaC24H21Cl3N2O3
Molecular Weight491.8
Molecular Weight (Monoisotopic)490.0618
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsNone
SmilesCC1(C)CC(NC(=O)CO)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1
InchiInChI=1S/C24H21Cl3N2O3/c1-24(2)11-20(28-21(31)12-30)18-10-17(13-3-5-14(25)6-4-13)22(29-23(18)32-24)16-8-7-15(26)9-19(16)27/h3-10,20,30H,11-12H2,1-2H3,(H,28,31)
Inchi KeyLGJVWHPVWBOBEW-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities4.0
Np Likeness Score-0.21
Records Key['13d, Enantiomer 2', '13c, Enantiomer 1']
Records Name['N-(6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)-2-hydroxyacetamide', 'N-(6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)-2-hydroxyacetamide']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure