General Information of the Compound
| Compound ID |
CP0416595
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| Compound Name |
8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-(4-cyclopropylsulfonylpiperazin-1-yl)purine
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| Structure |
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| Formula |
C24H22Cl2N6O2S
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| Molecular Weight |
529.453
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| Canonical SMILES |
Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)S(=O)(=O)C1CC1)-c1ccccc1Cl
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| InChI |
InChI=1S/C24H22Cl2N6O2S/c25-16-5-7-17(8-6-16)32-22(19-3-1-2-4-20(19)26)29-21-23(27-15-28-24(21)32)30-11-13-31(14-12-30)35(33,34)18-9-10-18/h1-8,15,18H,9-14H2
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| InChIKey |
MGRJTIAYVGJYBT-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