General Information of the Compound
| Compound ID |
CP0566852
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| Compound Name |
1-[8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)purin-9-yl]-2-methylpropan-2-ol
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| Structure |
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| Formula |
C21H27ClN6O
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| Molecular Weight |
414.941
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| Canonical SMILES |
CN1CCN(CC1)c1nc(C)nc2n(CC(C)(C)O)c(nc12)-c1ccccc1Cl
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| InChI |
InChI=1S/C21H27ClN6O/c1-14-23-19(27-11-9-26(4)10-12-27)17-20(24-14)28(13-21(2,3)29)18(25-17)15-7-5-6-8-16(15)22/h5-8,29H,9-13H2,1-4H3
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| InChIKey |
YFTCLNZWBGCELR-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