General Information of the Compound
| Compound ID |
CP0291135
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| Compound Name |
9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-6-(piperidin-1-yl)-9H-purine
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| Structure |
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| Formula |
C22H18Cl3N5
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| Molecular Weight |
458.78
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| Canonical SMILES |
Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCCCC1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C22H18Cl3N5/c23-14-4-7-16(8-5-14)30-20(17-9-6-15(24)12-18(17)25)28-19-21(26-13-27-22(19)30)29-10-2-1-3-11-29/h4-9,12-13H,1-3,10-11H2
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| InChIKey |
JQNLVQKIAYWCJT-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