General Information of the Compound
| Compound ID |
CP0539038
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| Compound Name |
8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-[4-[[2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]purine
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| Structure |
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| Formula |
C29H23Cl2F3N6O
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| Molecular Weight |
599.444
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| Canonical SMILES |
FC(F)(F)Oc1ccccc1CN1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C29H23Cl2F3N6O/c30-20-9-11-21(12-10-20)40-26(22-6-2-3-7-23(22)31)37-25-27(35-18-36-28(25)40)39-15-13-38(14-16-39)17-19-5-1-4-8-24(19)41-29(32,33)34/h1-12,18H,13-17H2
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| InChIKey |
RSMGRQDWOUGHPT-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