General Information of the Compound
| Compound ID |
CP0966917
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| Compound Name |
methyl 5-((2,4-dichlorophenoxy)methyl)thiophene-2-carboxylate
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| Structure |
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| Formula |
C13H10Cl2O3S
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| Molecular Weight |
317.193
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| Canonical SMILES |
COC(=O)c1ccc(COc2ccc(Cl)cc2Cl)s1
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| InChI |
InChI=1S/C13H10Cl2O3S/c1-17-13(16)12-5-3-9(19-12)7-18-11-4-2-8(14)6-10(11)15/h2-6H,7H2,1H3
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| InChIKey |
UZICZLQDUKGIOO-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