General Information of the Compound
| Compound ID |
CP0861736
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| Compound Name |
N-[2-[8-(2-Chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)-9H-purin-9-yl]ethyl]acetamide Hydrochloride
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| Structure |
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| Formula |
C21H27Cl2N7O
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| Molecular Weight |
464.401
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| Canonical SMILES |
CC(=O)NCCn1c(-c2ccccc2Cl)nc2c(N3CCN(C)CC3)nc(C)nc21.Cl
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| InChI |
InChI=1S/C21H26ClN7O.ClH/c1-14-24-20(28-12-10-27(3)11-13-28)18-21(25-14)29(9-8-23-15(2)30)19(26-18)16-6-4-5-7-17(16)22;/h4-7H,8-13H2,1-3H3,(H,23,30);1H
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| InChIKey |
KXJQYOSPCQSRHF-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