General Information of the Compound
| Compound ID |
CP0849004
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| Compound Name |
8-(2-Chlorophenyl)-6-(4-ethylpiperazin-1-yl)-9-(2-methoxyethyl)-2-methyl-purine Hydrochloride
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| Structure |
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| Formula |
C21H28Cl2N6O
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| Molecular Weight |
451.402
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| Canonical SMILES |
CCN1CCN(c2nc(C)nc3c2nc(-c2ccccc2Cl)n3CCOC)CC1.Cl
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| InChI |
InChI=1S/C21H27ClN6O.ClH/c1-4-26-9-11-27(12-10-26)20-18-21(24-15(2)23-20)28(13-14-29-3)19(25-18)16-7-5-6-8-17(16)22;/h5-8H,4,9-14H2,1-3H3;1H
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| InChIKey |
XWYYGTIRKGCPQP-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