General Information of the Compound
| Compound ID |
CP0559158
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| Compound Name |
5-[5-(4-chlorophenyl)thiophen-2-yl]-3H-2-benzofuran-1-one
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| Structure |
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| Formula |
C18H11ClO2S
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| Molecular Weight |
326.804
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| Canonical SMILES |
Clc1ccc(cc1)-c1ccc(s1)-c1ccc2C(=O)OCc2c1
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| InChI |
InChI=1S/C18H11ClO2S/c19-14-4-1-11(2-5-14)16-7-8-17(22-16)12-3-6-15-13(9-12)10-21-18(15)20/h1-9H,10H2
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| InChIKey |
KITODVRKZFWQJW-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