General Information of the Compound
| Compound ID |
CP0408379
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| Compound Name |
3-(4-tert-butylphenyl)-4-cyano-5-(phenylthio)thiophene-2-carboxylic acid
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| Structure |
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| Formula |
C22H19NO2S2
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| Molecular Weight |
393.533
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)-c1c(sc(Sc2ccccc2)c1C#N)C(O)=O
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| InChI |
InChI=1S/C22H19NO2S2/c1-22(2,3)15-11-9-14(10-12-15)18-17(13-23)21(27-19(18)20(24)25)26-16-7-5-4-6-8-16/h4-12H,1-3H3,(H,24,25)
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| InChIKey |
JLFJLXRTPQFYQU-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