General Information of the Compound
| Compound ID |
CP0469264
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| Compound Name |
ethyl 2-hydroxy-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzoate
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| Structure |
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| Formula |
C21H16O5S
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| Molecular Weight |
380.421
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| Canonical SMILES |
CCOC(=O)c1ccc(cc1O)-c1ccc(s1)-c1ccc2C(=O)OCc2c1
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| InChI |
InChI=1S/C21H16O5S/c1-2-25-21(24)16-6-4-13(10-17(16)22)19-8-7-18(27-19)12-3-5-15-14(9-12)11-26-20(15)23/h3-10,22H,2,11H2,1H3
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| InChIKey |
VJCZSDIILKHYMS-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