General Information of the Compound
| Compound ID |
CP0559842
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| Compound Name |
8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-(4-methylsulfonylpiperazin-1-yl)purine
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| Structure |
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| Formula |
C22H20Cl2N6O2S
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| Molecular Weight |
503.415
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| Canonical SMILES |
CS(=O)(=O)N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H20Cl2N6O2S/c1-33(31,32)29-12-10-28(11-13-29)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 |
SSWMNOQWRGICRM-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
Protein ID: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2