General Information of the Compound
| Compound ID |
CP0339943
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| Compound Name |
9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-6-(4-methylpiperazin-1-yl)-9H-purine
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| Structure |
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| Formula |
C22H19Cl3N6
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| Molecular Weight |
473.795
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| Canonical SMILES |
CN1CCN(CC1)c1ncnc2n(c(nc12)-c1ccc(Cl)cc1Cl)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H19Cl3N6/c1-29-8-10-30(11-9-29)21-19-22(27-13-26-21)31(16-5-2-14(23)3-6-16)20(28-19)17-7-4-15(24)12-18(17)25/h2-7,12-13H,8-11H2,1H3
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| InChIKey |
QMTPGEKECKOWFW-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