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CHEBI:230488 - AGI-5198

ChEBI IDCHEBI:230488
ChEBI NameAGI-5198
Stars
DefinitionAGI-5198 (IDH-C35) is a potent and selective mutant IDH1 R132H inhibitor
Submitterdelphine
DownloadsMolfile
FormulaC27H31FN4O2
Net Charge0
Average Mass462.569
Monoisotopic Mass462.24310
SMILESCc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1
InChIInChI=1S/C27H31FN4O2/c1-19-9-6-7-14-24(19)26(27(34)30-22-11-4-3-5-12-22)32(23-13-8-10-21(28)17-23)25(33)18-31-16-15-29-20(31)2/h6-10,13-17,22,26H,3-5,11-12,18H2,1-2H3,(H,30,34)
InChIKeyFNYGWXSATBUBER-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
AGI-5198 (CHEBI:230488) is a organic molecular entity (CHEBI:50860)
Synonym  Source
IDH-C35SUBMITTER
Registry NumbersSources
CAS:1355326-35-0SUBMITTER