General Information of the Compound
| Compound ID |
CP0501565
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| Compound Name |
2-[(6-Trifluoromethyl-1,3-benzothiazol-2-yl)thio]-2-methylpropanoic Acid
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| Structure |
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| Formula |
C12H10F3NO2S2
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| Molecular Weight |
321.345
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| Canonical SMILES |
CC(C)(Sc1nc2ccc(cc2s1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C12H10F3NO2S2/c1-11(2,9(17)18)20-10-16-7-4-3-6(12(13,14)15)5-8(7)19-10/h3-5H,1-2H3,(H,17,18)
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| InChIKey |
XAVQDXQJEXACIF-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