General Information of the Compound
| Compound ID |
CP0439596
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| Compound Name |
3-N-(2,6-dichlorophenyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-6-N-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
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| Structure |
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| Formula |
C24H26Cl2N8
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| Molecular Weight |
497.434
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| Canonical SMILES |
CN1CCN(CCn2nc(Nc3c(Cl)cccc3Cl)c3cnc(Nc4ccccc4)nc23)CC1
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| InChI |
InChI=1S/C24H26Cl2N8/c1-32-10-12-33(13-11-32)14-15-34-23-18(16-27-24(30-23)28-17-6-3-2-4-7-17)22(31-34)29-21-19(25)8-5-9-20(21)26/h2-9,16H,10-15H2,1H3,(H,29,31)(H,27,28,30)
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| InChIKey |
WIDBVENAQSOJEN-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