CHEBI:230488 - AGI-5198

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ChEBI Name AGI-5198
ChEBI ID CHEBI:230488
Definition AGI-5198 (IDH-C35) is a potent and selective mutant IDH1 R132H inhibitor
Stars This entity has been manually annotated by a third party.
Submitter Delphine Zhou
Supplier Information
Download Molfile XML SDF
Formula C27H31FN4O2
Net Charge 0
Average Mass 462.569
Monoisotopic Mass 462.24310
InChI InChI=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)
InChIKey FNYGWXSATBUBER-UHFFFAOYSA-N
SMILES FC1=CC=CC(N(C(C2=CC=CC=C2C)C(NC3CCCCC3)=O)C(CN4C=CN=C4C)=O)=C1
ChEBI Ontology
Outgoing AGI-5198 (CHEBI:230488) is a organic molecular entity (CHEBI:50860)
Synonym Source
IDH-C35 SUBMITTER
Registry Number Type Source
1355326-35-0 CAS Registry Number SUBMITTER