General Information of the Compound
| Compound ID |
CP0877797
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| Compound Name |
8-(2-Chlorophenyl)-6-[4-(2-fluoroethyl)piperazin-1-yl]-9-(2-methoxyethyl)-2-methyl-purine Hydrochloride
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| Structure |
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| Formula |
C21H27Cl2FN6O
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| Molecular Weight |
469.392
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| Canonical SMILES |
COCCn1c(-c2ccccc2Cl)nc2c(N3CCN(CCF)CC3)nc(C)nc21.Cl
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| InChI |
InChI=1S/C21H26ClFN6O.ClH/c1-15-24-20(28-11-9-27(8-7-23)10-12-28)18-21(25-15)29(13-14-30-2)19(26-18)16-5-3-4-6-17(16)22;/h3-6H,7-14H2,1-2H3;1H
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| InChIKey |
NYKCRWUWELTRCP-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