General Information of the Compound
| Compound ID |
CP0412607
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| Compound Name |
8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]purine
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| Structure |
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| Formula |
C28H23Cl2FN6
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| Molecular Weight |
533.438
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| Canonical SMILES |
Fc1ccc(CN2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C28H23Cl2FN6/c29-20-7-11-22(12-8-20)37-26(23-3-1-2-4-24(23)30)34-25-27(32-18-33-28(25)37)36-15-13-35(14-16-36)17-19-5-9-21(31)10-6-19/h1-12,18H,13-17H2
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| InChIKey |
ZDQJAFYUERQSGA-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: PT00897, Potassium voltage-gated channel subfamily H member 2