General Information of the Compound
| Compound ID |
CP0109122
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| Compound Name |
8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)-9H-purine
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| Structure |
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| Formula |
C22H20Cl2N6
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| Molecular Weight |
439.35
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| Canonical SMILES |
CN1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H20Cl2N6/c1-28-10-12-29(13-11-28)21-19-22(26-14-25-21)30(16-8-6-15(23)7-9-16)20(27-19)17-4-2-3-5-18(17)24/h2-9,14H,10-13H2,1H3
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| InChIKey |
KCQJZOJGRGXWCV-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