General Information of the Compound
| Compound ID |
CP0502772
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| Compound Name |
6-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C23H24FN7
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| Molecular Weight |
417.492
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| Canonical SMILES |
Cn1ncc2c(Nc3ccc(F)cc3)nc(nc12)N1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C23H24FN7/c1-29-22-20(15-25-29)21(26-19-9-7-18(24)8-10-19)27-23(28-22)31-13-11-30(12-14-31)16-17-5-3-2-4-6-17/h2-10,15H,11-14,16H2,1H3,(H,26,27,28)
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| InChIKey |
MHININBZRWUWLX-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