General Information of the Compound
| Compound ID |
CP0848879
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| Compound Name |
8-(2-Chlorophenyl)-6-(4-ethylpiperazin-1-yl)-2-methyl-9Hpurine Hydrochloride
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| Structure |
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| Formula |
C18H22Cl2N6
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| Molecular Weight |
393.322
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| Canonical SMILES |
CCN1CCN(c2nc(C)nc3[nH]c(-c4ccccc4Cl)nc23)CC1.Cl
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| InChI |
InChI=1S/C18H21ClN6.ClH/c1-3-24-8-10-25(11-9-24)18-15-17(20-12(2)21-18)23-16(22-15)13-6-4-5-7-14(13)19;/h4-7H,3,8-11H2,1-2H3,(H,20,21,22,23);1H
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| InChIKey |
ZLYKETWUOTZDCZ-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