General Information of the Compound
| Compound ID |
CP0090273
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| Compound Name |
9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-N-(piperidin-1-yl)-9H-purin-6-amine
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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 |
Clc1ccc(cc1)-n1c(nc2c(NN3CCCCC3)ncnc12)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C22H19Cl3N6/c23-14-4-7-16(8-5-14)31-21(17-9-6-15(24)12-18(17)25)28-19-20(26-13-27-22(19)31)29-30-10-2-1-3-11-30/h4-9,12-13H,1-3,10-11H2,(H,26,27,29)
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| InChIKey |
JHPCUAOEZFKOGG-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