General Information of the Compound
| Compound ID |
CP0931083
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| Compound Name |
(R)-1-(3-(4-Amino-3-(3-methyl-4-((6-methylpyridin-2-yl)-methoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-prop-2-en-1-one
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| Structure |
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| Formula |
C27H29N7O2
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| Molecular Weight |
483.576
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| Canonical SMILES |
C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(OCc4cccc(C)n4)c(C)c3)c3c(N)ncnc32)C1
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| InChI |
InChI=1S/C27H29N7O2/c1-4-23(35)33-12-6-9-21(14-33)34-27-24(26(28)29-16-30-27)25(32-34)19-10-11-22(17(2)13-19)36-15-20-8-5-7-18(3)31-20/h4-5,7-8,10-11,13,16,21H,1,6,9,12,14-15H2,2-3H3,(H2,28,29,30)/t21-/m1/s1
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| InChIKey |
MYXGGCWPPHSZSX-OAQYLSRUSA-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