General Information of the Compound
| Compound ID |
CP0396584
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| Compound Name |
8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-(4-ethylsulfonylpiperazin-1-yl)purine
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| Structure |
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| Formula |
C23H22Cl2N6O2S
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| Molecular Weight |
517.442
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| Canonical SMILES |
CCS(=O)(=O)N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H22Cl2N6O2S/c1-2-34(32,33)30-13-11-29(12-14-30)22-20-23(27-15-26-22)31(17-9-7-16(24)8-10-17)21(28-20)18-5-3-4-6-19(18)25/h3-10,15H,2,11-14H2,1H3
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| InChIKey |
CWCYGDHBLLGUKT-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