Basic Information |
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Product Name: | PCI-32765 |
CAS: | 936563-96-1 |
English Synonyms: | IBRUTINIB ; IBRUTINIB (PCI-32765) ; 2-PROPEN-1-ONE, 1-[(3R)-3-[4-AMINO-3-(4-PHENOXYPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-1-YL]-1-PIPERIDINYL]- ; (R)-1-(3-(4-AMINO-3-(4-PHENOXYPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-1-YL)PIPERIDIN-1-YL)PROP-2-EN-1-ONE ; PCI-32765 ; 1-[(3R)-3-[4-AMINO-3-(4-PHENOXYPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-1-YL]-1-PIPERIDINYL]-2-PROPEN-1-ONE |
MDL Number.: | MFCD20261150 |
H bond acceptor: | 8 |
H bond donor: | 1 |
Smile: | C=CC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N |
InChi: | InChI=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 |
InChiKey: | InChIKey=XYFPWWZEPKGCCK-GOSISDBHSA-N |
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