General Information of the Compound
| Compound ID |
CP0391306
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| Compound Name |
8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]purine
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| Structure |
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| Formula |
C24H21Cl2F3N6O2S
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| Molecular Weight |
585.439
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| Canonical SMILES |
FC(F)(F)CCS(=O)(=O)N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H21Cl2F3N6O2S/c25-16-5-7-17(8-6-16)35-21(18-3-1-2-4-19(18)26)32-20-22(30-15-31-23(20)35)33-10-12-34(13-11-33)38(36,37)14-9-24(27,28)29/h1-8,15H,9-14H2
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| InChIKey |
GVHVHMDNIHFVLW-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