General Information of the Compound
| Compound ID |
CP0511603
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| Compound Name |
N-(4-fluorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C22H21F2N7
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| Molecular Weight |
421.455
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| Canonical SMILES |
Cn1ncc2c(Nc3ccc(F)cc3)nc(nc12)N1CCN(CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C22H21F2N7/c1-29-21-19(14-25-29)20(26-17-6-2-15(23)3-7-17)27-22(28-21)31-12-10-30(11-13-31)18-8-4-16(24)5-9-18/h2-9,14H,10-13H2,1H3,(H,26,27,28)
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| InChIKey |
LBJIAISWCLQLQB-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