General Information of the Compound
| Compound ID |
CP0455636
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| Compound Name |
5-[5-(2-methylphenyl)thiophen-2-yl]-3H-2-benzofuran-1-one
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| Structure |
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| Formula |
C19H14O2S
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| Molecular Weight |
306.386
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| Canonical SMILES |
Cc1ccccc1-c1ccc(s1)-c1ccc2C(=O)OCc2c1
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| InChI |
InChI=1S/C19H14O2S/c1-12-4-2-3-5-15(12)18-9-8-17(22-18)13-6-7-16-14(10-13)11-21-19(16)20/h2-10H,11H2,1H3
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| InChIKey |
FZSWMJCZDUKOJP-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