Bioactive Compound Details

BioIDbio82918
NameRUCAPARIB PHOSPHATE
ChEMBL IDCHEMBL2105733
Molecular FormulaC19H21FN3O5P
Molecular Weight421.37
Molecular Weight (Monoisotopic)323.1434
TypeSmall molecule
Max PhasePhase 1
Target IDTar58
Target NameNone
SynonymsAG 014699|AG-014699|AG-14699|AG014699|PF-01367338|PF01367338|RUCAPARIB PHOSPHATE
SmilesCNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O
InchiInChI=1S/C19H18FN3O.H3O4P/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15;1-5(2,3)4/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24);(H3,1,2,3,4)
Inchi KeyFCCGJTKEKXUBFZ-UHFFFAOYSA-N
Molecular SpeciesBASE
Targets3.0
Bioactivities5.0
Np Likeness Score0.04
Records Key['RUCAPARIB PHOSPHATE', 'RUCAPARIB (AG-014699,PF-01367338) PHOSPHATE', 'RUCAPARIB PHOSPHATE', 'Rucaparib (AG-014699;PF-01367338) phosphate', 'Rucaparib (AG-014699;PF-01367338) phosphate', '3; AG014699']
Records Name['RUCAPARIB PHOSPHATE', 'RUCAPARIB (AG-014699,PF-01367338) PHOSPHATE', 'RUCAPARIB PHOSPHATE', 'Rucaparib (AG-014699;PF-01367338) phosphate', 'Rucaparib (AG-014699;PF-01367338) phosphate', 'Rucaparib Phosphate']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure