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ibrutinib

PropertiesImageOccurences in reactions
MNX_IDMNXM105679Image of MNXM105679
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC25H24N6O2
charge0
mass440.19607
referencechebi:76612
InChIKeyXYFPWWZEPKGCCK-GOSISDBHSA-N
InChIInChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1
SMILESC=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1
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 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:76612
chebi:76612 		ibrutinib
1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one
IMBRUVICA
PCI 32765
PCI-32765
PCI32765
ibrutinibum
CHEBI:91397
chebi:91397 		1-[3-[4-amino-3-(4-phenoxyphenyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinyl]-2-propen-1-one
kegg.drug:D10223
keggD:D10223 		Ibrutinib (JAN/USAN)
Imbruvica (TN)
keggD:M_D10223 secondary/obsolete/fantasy identifier