General Information of the Compound
| Compound ID |
CP0848878
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| Compound Name |
1-[2-[8-(2-Chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)-9H-purin-9-yl]ethyl]pyrrolidin-2-one Hydrochloride
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| Structure |
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| Formula |
C23H29Cl2N7O
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| Molecular Weight |
490.439
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| Canonical SMILES |
Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n(CCN3CCCC3=O)c2n1.Cl
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| InChI |
InChI=1S/C23H28ClN7O.ClH/c1-16-25-22(30-12-10-28(2)11-13-30)20-23(26-16)31(15-14-29-9-5-8-19(29)32)21(27-20)17-6-3-4-7-18(17)24;/h3-4,6-7H,5,8-15H2,1-2H3;1H
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| InChIKey |
JCQUZKSREGZWPN-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
Protein ID: PT02333, Cannabinoid receptor 2