General Information of the Compound
| Compound ID |
CP0949292
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| Compound Name |
4-(4-fluoro-3-(trifluoromethyl)phenyl)-1-(2-(piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidine
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| Structure |
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| Formula |
C19H19F4N5
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| Molecular Weight |
393.388
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| Canonical SMILES |
Fc1ccc(-c2ncnc3c2cnn3CCN2CCCCC2)cc1C(F)(F)F
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| InChI |
InChI=1S/C19H19F4N5/c20-16-5-4-13(10-15(16)19(21,22)23)17-14-11-26-28(18(14)25-12-24-17)9-8-27-6-2-1-3-7-27/h4-5,10-12H,1-3,6-9H2
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| InChIKey |
XEAVFDWCRPUMQA-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