Bioactive Compound Details

BioIDbio199808
NameCRIBROSTATIN 2
ChEMBL IDCHEMBL494048
Molecular FormulaC13H13NO4
Molecular Weight247.25
Molecular Weight (Monoisotopic)247.0845
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsCribrostatin 2
SmilesCCOC1=C(C)C(=O)c2cc(=O)n(C)cc2C1=O
InchiInChI=1S/C13H13NO4/c1-4-18-13-7(2)11(16)8-5-10(15)14(3)6-9(8)12(13)17/h5-6H,4H2,1-3H3
Inchi KeyBUJWDBKNRAIPLZ-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets12.0
Bioactivities15.0
Np Likeness Score0.61
Records Key['2a']
Records Name['cribrostatin 2']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure