General Information of the Compound
| Compound ID |
CP0849001
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| Compound Name |
8-(2-Chlorophenyl)-9-cyclopropyl-2-methyl-6-(4-methylpiperazin-1-yl)purine Hydrochloride
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| Structure |
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| Formula |
C20H24Cl2N6
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| Molecular Weight |
419.36
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| Canonical SMILES |
Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n(C3CC3)c2n1.Cl
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| InChI |
InChI=1S/C20H23ClN6.ClH/c1-13-22-19(26-11-9-25(2)10-12-26)17-20(23-13)27(14-7-8-14)18(24-17)15-5-3-4-6-16(15)21;/h3-6,14H,7-12H2,1-2H3;1H
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| InChIKey |
ZHJDVSWMPWHWLE-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