General Information of the Compound
| Compound ID |
CP0442459
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| Compound Name |
2-[8-(2-chlorophenyl)-9-(2-methoxyethyl)-2-methylpurin-6-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;hydrochloride
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| Structure |
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| Formula |
C22H26Cl2N6O2
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| Molecular Weight |
477.396
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| Canonical SMILES |
Cl.COCCn1c(nc2c(nc(C)nc12)N1CCN2C(CCC2=O)C1)-c1ccccc1Cl
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| InChI |
InChI=1S/C22H25ClN6O2.ClH/c1-14-24-21(27-9-10-28-15(13-27)7-8-18(28)30)19-22(25-14)29(11-12-31-2)20(26-19)16-5-3-4-6-17(16)23;/h3-6,15H,7-13H2,1-2H3;1H
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| InChIKey |
VFPBKXHEWQRLLU-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