General Information of the Compound
| Compound ID |
CP0875962
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| Compound Name |
(R)-5-(1-(1-Acryloylpiperidin-3-yl)-4-amino-1H-pyrazolo[3,4-d]-pyrimidin-3-yl)-2-(pyridin-2-ylmethoxy)benzonitrile
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| Structure |
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| Formula |
C26H24N8O2
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| Molecular Weight |
480.532
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| Canonical SMILES |
C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(OCc4ccccn4)c(C#N)c3)c3c(N)ncnc32)C1
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| InChI |
InChI=1S/C26H24N8O2/c1-2-22(35)33-11-5-7-20(14-33)34-26-23(25(28)30-16-31-26)24(32-34)17-8-9-21(18(12-17)13-27)36-15-19-6-3-4-10-29-19/h2-4,6,8-10,12,16,20H,1,5,7,11,14-15H2,(H2,28,30,31)/t20-/m1/s1
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| InChIKey |
CCXRJBUULNYQSN-HXUWFJFHSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound