CHEBI:92624 - 2-[2-[[[4-(2-chlorophenyl)-2-thiazolyl]amino]-oxomethyl]-1-indolyl]acetic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[2-[[[4-(2-chlorophenyl)-2-thiazolyl]amino]-oxomethyl]-1-indolyl]acetic acid
ChEBI ID CHEBI:92624
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H14ClN3O3S
Net Charge 0
Average Mass 411.863
Monoisotopic Mass 411.04444
InChI InChI=1S/C20H14ClN3O3S/c21-14-7-3-2-6-13(14)15-11-28-20(22-15)23-19(27)17-9-12-5-1-4-8-16(12)24(17)10-18(25)26/h1-9,11H,10H2,(H,25,26)(H,22,23,27)
InChIKey ILNRQFBVVQUOLP-UHFFFAOYSA-N
SMILES C1=CC=C2C(=C1)C=C(N2CC(=O)O)C(=O)NC3=NC(=CS3)C4=CC=CC=C4Cl
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-[2-[[[4-(2-chlorophenyl)-2-thiazolyl]amino]-oxomethyl]-1-indolyl]acetic acid (CHEBI:92624) is a indolyl carboxylic acid (CHEBI:46867)
Manual Xref Database
LSM-2780 LINCS
View more database links