General Information of the Compound
| Compound ID |
CP0452289
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| Compound Name |
methyl N-[2-[8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)purin-9-yl]ethyl]carbamate
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| Structure |
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| Formula |
C21H26ClN7O2
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| Molecular Weight |
443.939
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| Canonical SMILES |
COC(=O)NCCn1c(nc2c(nc(C)nc12)N1CCN(C)CC1)-c1ccccc1Cl
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| InChI |
InChI=1S/C21H26ClN7O2/c1-14-24-19(28-12-10-27(2)11-13-28)17-20(25-14)29(9-8-23-21(30)31-3)18(26-17)15-6-4-5-7-16(15)22/h4-7H,8-13H2,1-3H3,(H,23,30)
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| InChIKey |
ANQDZRSJEJYATQ-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