General Information of the Compound
| Compound ID |
CP0388545
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| Compound Name |
1-tert-butyl-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C16H16F3N5O
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| Molecular Weight |
351.332
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| Canonical SMILES |
CC(C)(C)n1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12
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| InChI |
InChI=1S/C16H16F3N5O/c1-15(2,3)24-14-12(8-22-24)13(20-9-21-14)23-10-4-6-11(7-5-10)25-16(17,18)19/h4-9H,1-3H3,(H,20,21,23)
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| InChIKey |
RWJIYVMIMXSSGS-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