General Information of the Compound
| Compound ID |
CP0945595
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| Compound Name |
4-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)-1-(2-(piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidine
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| Structure |
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| Formula |
C17H20F3N7
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| Molecular Weight |
379.39
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| Canonical SMILES |
Cn1nc(C(F)(F)F)cc1-c1ncnc2c1cnn2CCN1CCCCC1
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| InChI |
InChI=1S/C17H20F3N7/c1-25-13(9-14(24-25)17(18,19)20)15-12-10-23-27(16(12)22-11-21-15)8-7-26-5-3-2-4-6-26/h9-11H,2-8H2,1H3
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| InChIKey |
LLFYPLDZGVPDPT-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