General Information of the Compound
| Compound ID |
CP0450630
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| Compound Name |
6-(4-(4-fluorophenyl)piperazin-1-yl)-N-(4-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 |
COc1ccc(Nc2nc(nc3n(C)ncc23)N2CCN(CC2)c2ccc(F)cc2)cc1
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| InChI |
InChI=1S/C23H24FN7O/c1-29-22-20(15-25-29)21(26-17-5-9-19(32-2)10-6-17)27-23(28-22)31-13-11-30(12-14-31)18-7-3-16(24)4-8-18/h3-10,15H,11-14H2,1-2H3,(H,26,27,28)
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| InChIKey |
OUVSVJPQUBOHDI-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