General Information of the Compound
| Compound ID |
CP0412604
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| Compound Name |
8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-[4-[(2-methylphenyl)methyl]piperazin-1-yl]purine
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| Structure |
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| Formula |
C29H26Cl2N6
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| Molecular Weight |
529.475
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| Canonical SMILES |
Cc1ccccc1CN1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C29H26Cl2N6/c1-20-6-2-3-7-21(20)18-35-14-16-36(17-15-35)28-26-29(33-19-32-28)37(23-12-10-22(30)11-13-23)27(34-26)24-8-4-5-9-25(24)31/h2-13,19H,14-18H2,1H3
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| InChIKey |
KXQNJERWXJQIIO-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