General Information of the Compound
| Compound ID |
CP0472038
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| Compound Name |
N-(4-fluorophenyl)-1-methyl-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C22H22FN7
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| Molecular Weight |
403.465
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| Canonical SMILES |
Cn1ncc2c(Nc3ccc(F)cc3)nc(nc12)N1CCN(CC1)c1ccccc1
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| InChI |
InChI=1S/C22H22FN7/c1-28-21-19(15-24-28)20(25-17-9-7-16(23)8-10-17)26-22(27-21)30-13-11-29(12-14-30)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3,(H,25,26,27)
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| InChIKey |
PKDMNNRFGBZMEH-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