General Information of the Compound
| Compound ID |
CP0471916
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| Compound Name |
6-(4-(4-fluorophenyl)piperazin-1-yl)-N-(3-methoxyphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C23H24FN7O
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| Molecular Weight |
433.491
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| Canonical SMILES |
COc1cccc(Nc2nc(nc3n(C)ncc23)N2CCN(CC2)c2ccc(F)cc2)c1
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| InChI |
InChI=1S/C23H24FN7O/c1-29-22-20(15-25-29)21(26-17-4-3-5-19(14-17)32-2)27-23(28-22)31-12-10-30(11-13-31)18-8-6-16(24)7-9-18/h3-9,14-15H,10-13H2,1-2H3,(H,26,27,28)
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| InChIKey |
GAAPXXSBEUALNN-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