General Information of the Compound
| Compound ID |
CP0374208
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| Compound Name |
1-(4-(3-cyclopropyl-5-(trifluoromethyl)phenylsulfonyl)piperazin-1-yl)-2-(4-(trifluoromethyl)phenyl)ethanone
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| Synonyms |
PMID26161824-Compound-185
Sulfonylated piperazine derivative 5
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| Structure |
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| Formula |
C23H22F6N2O3S
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| Molecular Weight |
520.495
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| Canonical SMILES |
FC(F)(F)c1ccc(CC(=O)N2CCN(CC2)S(=O)(=O)c2cc(cc(c2)C(F)(F)F)C2CC2)cc1
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| InChI |
InChI=1S/C23H22F6N2O3S/c24-22(25,26)18-5-1-15(2-6-18)11-21(32)30-7-9-31(10-8-30)35(33,34)20-13-17(16-3-4-16)12-19(14-20)23(27,28)29/h1-2,5-6,12-14,16H,3-4,7-11H2
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| InChIKey |
DVPAFQJRBKXLSG-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: PT02190, Cannabinoid receptor 1
Protein ID: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2
Clinical Information about the Compound