General Information of the Compound
| Compound ID |
CP0471879
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| Compound Name |
N-(1-(2-(4-tert- butylpiperidin-1-yl)ethyl)- 1H-pyrazolo[3,4- d]pyrimidin-4- yl)pivalamide
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| Structure |
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| Formula |
C21H34N6O
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| Molecular Weight |
386.544
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| Canonical SMILES |
CC(C)(C)C1CCN(CCn2ncc3c(NC(=O)C(C)(C)C)ncnc23)CC1
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| InChI |
InChI=1S/C21H34N6O/c1-20(2,3)15-7-9-26(10-8-15)11-12-27-18-16(13-24-27)17(22-14-23-18)25-19(28)21(4,5)6/h13-15H,7-12H2,1-6H3,(H,22,23,25,28)
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| InChIKey |
UKNZGXIABNKLCS-UHFFFAOYSA-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