General Information of the Compound
| Compound ID |
CP0399148
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| Compound Name |
4-(o-tolylthio)-2-(trifluoromethyl)benzonitrile
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| Synonyms |
4-(o-tolylthio)-2-(trifluoromethyl)benzonitrile
BDBM50248593
CHEMBL462025
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| Structure |
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| Formula |
C15H10F3NS
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| Molecular Weight |
293.313
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| Canonical SMILES |
Cc1ccccc1Sc1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C15H10F3NS/c1-10-4-2-3-5-14(10)20-12-7-6-11(9-19)13(8-12)15(16,17)18/h2-8H,1H3
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| InChIKey |
RAJQECAXWDTUGF-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
Clinical Information about the Compound