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CHEBI:234078 - BAY-850

Default Structure
ChEBI IDCHEBI:234078
ChEBI NameBAY-850
Stars
Submitterlbonaobra
DownloadsMolfile
FormulaC38H44ClN5O3
Net Charge0
Average Mass654.255
Monoisotopic Mass653.31327
SMILES[H][C@](CN[C@]1([H])CC[C@]([H])(N)CC1)(Cc1ccc(C#N)cc1)/N=C(\O)c1cc(-c2ccc(CN[C@]([H])(C)c3ccc(C)cc3)o2)c(OC)cc1Cl
InChIInChI=1S/C38H44ClN5O3/c1-24-4-10-28(11-5-24)25(2)42-23-32-16-17-36(47-32)34-19-33(35(39)20-37(34)46-3)38(45)44-31(18-26-6-8-27(21-40)9-7-26)22-43-30-14-12-29(41)13-15-30/h4-11,16-17,19-20,25,29-31,42-43H,12-15,18,22-23,41H2,1-3H3,(H,44,45)/t25-,29-,30+,31-/m1/s1
InChIKeyBSISGUIVBKDTQO-QIKYYPRYSA-N
ChEBI Ontology
Outgoing Relation(s)
BAY-850 (CHEBI:234078) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
2099142-76-2SUBMITTER
N-[(1R)-2-[(cis-4-aminocyclohexyl)amino]-1-[(4-cyanophenyl)methyl]ethyl]-2-chloro-4-methoxy-5-[5-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]-2-furanyl]-benzamideSUBMITTER
Registry NumbersSources
CAS:2099142-76-2SUBMITTER