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CHEBI:232469 - Crenigacestat

Default Structure
ChEBI IDCHEBI:232469
ChEBI NameCrenigacestat
Stars
DefinitionCrenigacestat (LY3039478) is an orally active Notch and g-secretase inhibitor, with an IC50 of 1 nM in most of the tumor cell lines tested.
SubmitterBrianna Xu
DownloadsMolfile
FormulaC22H23F3N4O4
Net Charge0
Average Mass464.444
Monoisotopic Mass464.16714
SMILESC[C@H](NC(=O)CCC(F)(F)F)C(=O)N[C@@H]1C(=O)N(CCO)c2ncccc2-c2ccccc21
InChIInChI=1S/C22H23F3N4O4/c1-13(27-17(31)8-9-22(23,24)25)20(32)28-18-15-6-3-2-5-14(15)16-7-4-10-26-19(16)29(11-12-30)21(18)33/h2-7,10,13,18,30H,8-9,11-12H2,1H3,(H,27,31)(H,28,32)/t13-,18-/m0/s1
InChIKeyYCBAQKQAINQRFW-UGSOOPFHSA-N
ChEBI Ontology
Outgoing Relation(s)
Crenigacestat (CHEBI:232469) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
LY3039478SUBMITTER
N-[(1S)-2-[[(7S)-6,7-dihydro-5-(2-hydroxyethyl)-6-oxo-5H-pyrido[3,2-a][3]benzazepin-7-yl]amino]-1-methyl-2-oxoethyl]-4,4,4-trifluoro-butanamideSUBMITTER
Registry NumbersSources
CAS:1421438-81-4SUBMITTER