General Information of the Compound
| Compound ID |
CP0385647
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| Compound Name |
8-(2-chlorophenyl)-9-(1,3-dimethoxypropan-2-yl)-6-(4-ethylpiperazin-1-yl)-2-methylpurine
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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 |
CCN1CCN(CC1)c1nc(C)nc2n(C(COC)COC)c(nc12)-c1ccccc1Cl
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| InChI |
InChI=1S/C23H31ClN6O2/c1-5-28-10-12-29(13-11-28)22-20-23(26-16(2)25-22)30(17(14-31-3)15-32-4)21(27-20)18-8-6-7-9-19(18)24/h6-9,17H,5,10-15H2,1-4H3
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| InChIKey |
RNIPCZJSAUJLLI-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