General Information of the Compound
| Compound ID |
CP0142970
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| Compound Name |
5-acetyl-2-(2,4-dichlorophenyl)sulfanylthiophene-3-carbonitrile
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| Structure |
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| Formula |
C13H7Cl2NOS2
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| Molecular Weight |
328.245
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| Canonical SMILES |
CC(=O)c1cc(C#N)c(Sc2ccc(Cl)cc2Cl)s1
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| InChI |
InChI=1S/C13H7Cl2NOS2/c1-7(17)12-4-8(6-16)13(19-12)18-11-3-2-9(14)5-10(11)15/h2-5H,1H3
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| InChIKey |
RQXYWMTUIQUROJ-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