Bioactive Compound Details

BioIDbio198569
NameNone
ChEMBL IDCHEMBL443023
Molecular FormulaC16H11N3O2
Molecular Weight277.28
Molecular Weight (Monoisotopic)277.0851
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-Nitroneocryptolepine
SmilesCn1c2nc3ccccc3c-2cc2cc([N+](=O)[O-])ccc21
InchiInChI=1S/C16H11N3O2/c1-18-15-7-6-11(19(20)21)8-10(15)9-13-12-4-2-3-5-14(12)17-16(13)18/h2-9H,1H3
Inchi KeyKLJGGWBGYZNZIT-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets6.0
Bioactivities9.0
Np Likeness Score-1.25
Records Key['SI, 2-nitroneocryptolepine', '1h']
Records Name['2-nitroneocryptolepine', '10-Methyl-7-nitro-10H-10,11-diaza-benzo[b]fluorene']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure