General Information of the Compound
| Compound ID |
CP0895759
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| Compound Name |
(4-(methylsulfonyl)-2-(trifluoromethoxy)phenyl)(4-((3-(trifluoromethyl)phenylsulfonyl)methyl)piperidin-1-yl)methanone
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| Structure |
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| Formula |
C22H21F6NO6S2
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| Molecular Weight |
573.533
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| Canonical SMILES |
CS(=O)(=O)c1ccc(C(=O)N2CCC(CS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c(OC(F)(F)F)c1
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| InChI |
InChI=1S/C22H21F6NO6S2/c1-36(31,32)16-5-6-18(19(12-16)35-22(26,27)28)20(30)29-9-7-14(8-10-29)13-37(33,34)17-4-2-3-15(11-17)21(23,24)25/h2-6,11-12,14H,7-10,13H2,1H3
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| InChIKey |
MZITYFPUVHRRMN-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