General Information of the Compound
| Compound ID |
CP0709767
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| Compound Name |
2-(5-Methyl-1,3,4-thiadiazol-2-ylsulfinyl)-1-(4-(trifluoromethyl)-phenyl)ethanone
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| Structure |
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| Formula |
C12H9F3N2O2S2
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| Molecular Weight |
334.344
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| Canonical SMILES |
Cc1nnc([S+]([O-])CC(=O)c2ccc(C(F)(F)F)cc2)s1
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| InChI |
InChI=1S/C12H9F3N2O2S2/c1-7-16-17-11(20-7)21(19)6-10(18)8-2-4-9(5-3-8)12(13,14)15/h2-5H,6H2,1H3
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| InChIKey |
WIFYSHFWVVEACY-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