General Information of the Compound
| Compound ID |
CP0539794
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| Compound Name |
3-(3-Methoxy-phenylsulfanyl)-benzofuran-2-carboxylic acid
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| Structure |
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| Formula |
C16H12O4S
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| Molecular Weight |
300.335
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| Canonical SMILES |
COc1cccc(Sc2c(oc3ccccc23)C(O)=O)c1
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| InChI |
InChI=1S/C16H12O4S/c1-19-10-5-4-6-11(9-10)21-15-12-7-2-3-8-13(12)20-14(15)16(17)18/h2-9H,1H3,(H,17,18)
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| InChIKey |
JFCHYHCFMYNCBT-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