General Information of the Compound
Compound ID |
CP0385648
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Compound Name |
8-(2-chlorophenyl)-6-(4-ethylpiperazin-1-yl)-9-(3-methoxypropyl)-2-methylpurine
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Structure |
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Formula |
C22H29ClN6O
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Molecular Weight |
428.968
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Canonical SMILES |
CCN1CCN(CC1)c1nc(C)nc2n(CCCOC)c(nc12)-c1ccccc1Cl
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InChI |
InChI=1S/C22H29ClN6O/c1-4-27-11-13-28(14-12-27)21-19-22(25-16(2)24-21)29(10-7-15-30-3)20(26-19)17-8-5-6-9-18(17)23/h5-6,8-9H,4,7,10-15H2,1-3H3
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InChIKey |
NWAWUOJNDHTFIB-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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