Bioactive Compound Details

BioIDbio199167
NameISOQUINOLINE
ChEMBL IDCHEMBL12315
Molecular FormulaC9H7N
Molecular Weight129.16
Molecular Weight (Monoisotopic)129.0578
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-Benzanine
Smilesc1ccc2cnccc2c1
InchiInChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H
Inchi KeyAWJUIBRHMBBTKR-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets8.0
Bioactivities23.0
Np Likeness Score-0.73
Records Key['31b', 'Table 1,C1R18', 'Isoquinoline', 'Isoquinoline', 'isoquinoline', '39', '4', '49', 'isoquinoline', 'SID144212820', '10', '34', '533', 'Isoquinoline']
Records Name['Isoquinoline', 'isoquinolina', 'Isoquinoline', 'Isoquinoline', 'isoquinoline', 'Isoquinoline', 'isoquinoline', 'isoquinoline', 'isoquinoline', 'SID144212820', 'isoquinoline', 'Isoquinoline', None, 'Isoquinoline']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure