General Information of the Compound
| Compound ID |
CP0848988
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| Compound Name |
8-(3-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 |
COc1cccc(-c2nc3c(N4CCN(C)CC4)nc(C)nc3n2C2CCOCC2)c1.Cl
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| InChI |
InChI=1S/C23H30N6O2.ClH/c1-16-24-22(28-11-9-27(2)10-12-28)20-23(25-16)29(18-7-13-31-14-8-18)21(26-20)17-5-4-6-19(15-17)30-3;/h4-6,15,18H,7-14H2,1-3H3;1H
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| InChIKey |
MUCLAFMRBLXCTJ-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