OntologieschebiclassesCHEBI:139224   
JSON document
GRI977143
http://purl.obolibrary.org/obo/CHEBI_139224

A benzoisoquinoline that is 1H-benzo[de]isoquinoline-1,3(2H)-dione in which the hydrogen attached to the nitrogen has been replaced by a 3-[(2-carboxyphenyl)thio]propyl group. It is a selective LPA2 receptor non-lipid agonist.

Also appears inslm
Exact Synonyms
2-{[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]sulfanyl}benzoic acid
Related Synonyms
2-{[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]thio}benzoic acid
GRI 977143
GRI-977143
class Information
charge

0

formula

C22H17NO4S

has_dbxref
has_obo_namespace

chebi_ontology

inchi

InChI=1S/C22H17NO4S/c24-20-16-9-3-6-14-7-4-10-17(19(14)16)21(25)23(20)12-5-13-28-18-11-2-1-8-15(18)22(26)27/h1-4,6-11H,5,12-13H2,(H,26,27)

inchikey

GMVZUCHUOYUMLL-UHFFFAOYSA-N

in_subset

3_STAR

mass

391.442

monoisotopicmass

391.08783

smiles

C(N1C(C2=C3C(C1=O)=CC=CC3=CC=C2)=O)CCSC4=C(C(O)=O)C=CC=C4

class Relations