General Information of the Compound
| Compound ID |
CP0861734
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| Compound Name |
8-(2-Methoxyphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)-9-tetrahydropyran-4-yl-purine Hydrochloride
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| Structure |
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| Formula |
C23H31ClN6O2
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| Molecular Weight |
458.994
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| Canonical SMILES |
COc1ccccc1-c1nc2c(N3CCN(C)CC3)nc(C)nc2n1C1CCOCC1.Cl
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| InChI |
InChI=1S/C23H30N6O2.ClH/c1-16-24-22(28-12-10-27(2)11-13-28)20-23(25-16)29(17-8-14-31-15-9-17)21(26-20)18-6-4-5-7-19(18)30-3;/h4-7,17H,8-15H2,1-3H3;1H
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| InChIKey |
DAVYHKLARDYXER-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