General Information of the Compound
| Compound ID |
CP0479998
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| Compound Name |
N-(4-fluorophenyl)-1-methyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C17H19FN6
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| Molecular Weight |
326.379
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| Canonical SMILES |
Cn1ncc2c(Nc3ccc(F)cc3)nc(nc12)N1CCCCC1
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| InChI |
InChI=1S/C17H19FN6/c1-23-16-14(11-19-23)15(20-13-7-5-12(18)6-8-13)21-17(22-16)24-9-3-2-4-10-24/h5-8,11H,2-4,9-10H2,1H3,(H,20,21,22)
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| InChIKey |
UZHWAQSHHPOCHE-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