General Information of the Compound
| Compound ID |
CP0466291
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| Compound Name |
4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-N-[1-(trifluoromethyl)cyclopentyl]piperazine-1-carboxamide
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| Structure |
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| Formula |
C28H26Cl2F3N7O
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| Molecular Weight |
604.464
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| Canonical SMILES |
FC(F)(F)C1(CCCC1)NC(=O)N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C28H26Cl2F3N7O/c29-18-7-9-19(10-8-18)40-23(20-5-1-2-6-21(20)30)36-22-24(34-17-35-25(22)40)38-13-15-39(16-14-38)26(41)37-27(28(31,32)33)11-3-4-12-27/h1-2,5-10,17H,3-4,11-16H2,(H,37,41)
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| InChIKey |
SKDYGDURZUQOGP-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