General Information of the Compound
| Compound ID |
CP0399058
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| Compound Name |
5-(5-acetylthiophen-2-yl)-3H-2-benzofuran-1-one
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| Structure |
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| Formula |
C14H10O3S
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| Molecular Weight |
258.298
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| Canonical SMILES |
CC(=O)c1ccc(s1)-c1ccc2C(=O)OCc2c1
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| InChI |
InChI=1S/C14H10O3S/c1-8(15)12-4-5-13(18-12)9-2-3-11-10(6-9)7-17-14(11)16/h2-6H,7H2,1H3
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| InChIKey |
XRMBUIKFQMBXOG-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