General Information of the Compound
| Compound ID |
CP0376291
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| Compound Name |
3-(4-tert-butylphenyl)-4-cyano-5-(methylsulfinyl)thiophene-2-carboxylic acid
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| Structure |
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| Formula |
C17H17NO3S2
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| Molecular Weight |
347.461
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| Canonical SMILES |
CS(=O)c1sc(C(O)=O)c(c1C#N)-c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C17H17NO3S2/c1-17(2,3)11-7-5-10(6-8-11)13-12(9-18)16(23(4)21)22-14(13)15(19)20/h5-8H,1-4H3,(H,19,20)
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| InChIKey |
CTOMJEIBBNGGHQ-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