General Information of the Compound
| Compound ID |
CP0861737
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| Compound Name |
8-(2-Chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)-9-(2-methylsulfonylethyl)purine Hydrochloride
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| Structure |
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| Formula |
C20H26Cl2N6O2S
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| Molecular Weight |
485.441
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| Canonical SMILES |
Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n(CCS(C)(=O)=O)c2n1.Cl
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| InChI |
InChI=1S/C20H25ClN6O2S.ClH/c1-14-22-19(26-10-8-25(2)9-11-26)17-20(23-14)27(12-13-30(3,28)29)18(24-17)15-6-4-5-7-16(15)21;/h4-7H,8-13H2,1-3H3;1H
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| InChIKey |
OXWWPTWKQHSVRE-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
Protein ID: PT02333, Cannabinoid receptor 2