General Information of the Compound
| Compound ID |
CP0567557
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| Compound Name |
ethyl 4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzoate
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| Structure |
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| Formula |
C21H16O4S
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| Molecular Weight |
364.422
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| Canonical SMILES |
CCOC(=O)c1ccc(cc1)-c1ccc(s1)-c1ccc2C(=O)OCc2c1
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| InChI |
InChI=1S/C21H16O4S/c1-2-24-20(22)14-5-3-13(4-6-14)18-9-10-19(26-18)15-7-8-17-16(11-15)12-25-21(17)23/h3-11H,2,12H2,1H3
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| InChIKey |
ZDOIZYCXOUHOHJ-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