EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:91369 - 4-[(9-cyclopentyl-5,8-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide

ChEBI IDCHEBI:91369
ChEBI Name4-[(9-cyclopentyl-5,8-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide
Stars
DownloadsMolfile
FormulaC28H39N7O3
Net Charge0
Average Mass521.666
Monoisotopic Mass521.31144
SMILESCOc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)C(C)CC(=O)N2C
InChIInChI=1S/C28H39N7O3/c1-18-15-25(36)34(3)23-17-29-28(32-26(23)35(18)21-7-5-6-8-21)31-22-10-9-19(16-24(22)38-4)27(37)30-20-11-13-33(2)14-12-20/h9-10,16-18,20-21H,5-8,11-15H2,1-4H3,(H,30,37)(H,29,31,32)
InChIKeyKZLQLABUFJNPSZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[(9-cyclopentyl-5,8-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide (CHEBI:91369) is a pyrimidodiazepine (CHEBI:39306)
Manual XrefsDatabases
LSM-1070LINCS