Bioactive Compound Details

BioIDbio199519
Name2-METHYL HEPTYL ISONICOTINATE
ChEMBL IDCHEMBL116320
Molecular FormulaC14H21NO2
Molecular Weight235.33
Molecular Weight (Monoisotopic)235.1572
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsNone
SmilesCCCCCC(C)COC(=O)c1ccncc1
InchiInChI=1S/C14H21NO2/c1-3-4-5-6-12(2)11-17-14(16)13-7-9-15-10-8-13/h7-10,12H,3-6,11H2,1-2H3
Inchi KeySJGJCJLSSXJWOR-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets6.0
Bioactivities6.0
Np Likeness Score0.13
Records Key['2MHI']
Records Name['2-methyl heptyl isonicotinate']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure