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CHEBI:175888 - CGP72383

Default Structure
ChEBI IDCHEBI:175888
ChEBI NameCGP72383
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H33N7O2
Net Charge0
Average Mass511.630
Monoisotopic Mass511.26957
SMILESCc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(C2=CNOCC=C2)n1
InChIInChI=1S/C29H33N7O2/c1-21-5-10-25(18-27(21)34-29-30-12-11-26(33-29)24-4-3-17-38-31-19-24)32-28(37)23-8-6-22(7-9-23)20-36-15-13-35(2)14-16-36/h3-12,18-19,31H,13-17,20H2,1-2H3,(H,32,37)(H,30,33,34)
InChIKeyNNACDCXPEQXEMT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
CGP72383 (CHEBI:175888) is a benzamides (CHEBI:22702)
IUPAC Name 
N-[3-[[4-(2,7-dihydrooxazepin-4-yl)pyrimidin-2-yl]amino]-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
Manual XrefsDatabases
74849509ChemSpider
HMDB0013865HMDB