General Information of the Compound
| Compound ID |
CP0401254
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| Compound Name |
ethyl 2-chloro-4-methyl-5-phenylthiophene-3-carboxylate
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| Structure |
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| Formula |
C14H13ClO2S
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| Molecular Weight |
280.776
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| Canonical SMILES |
CCOC(=O)c1c(Cl)sc(c1C)-c1ccccc1
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| InChI |
InChI=1S/C14H13ClO2S/c1-3-17-14(16)11-9(2)12(18-13(11)15)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
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| InChIKey |
FZHHENRKEAZEEJ-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