General Information of the Compound
| Compound ID |
CP0467896
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| Compound Name |
4-[2-Acetyl-5-(thiophen-3-ylmethoxy)-phenoxy]-4-o-tolyl-butyric acid
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| Structure |
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| Formula |
C24H24O5S
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| Molecular Weight |
424.518
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| Canonical SMILES |
CC(=O)c1ccc(OCc2ccsc2)cc1OC(CCC(O)=O)c1ccccc1C
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| InChI |
InChI=1S/C24H24O5S/c1-16-5-3-4-6-20(16)22(9-10-24(26)27)29-23-13-19(7-8-21(23)17(2)25)28-14-18-11-12-30-15-18/h3-8,11-13,15,22H,9-10,14H2,1-2H3,(H,26,27)
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| InChIKey |
ULMFTQRBVDYESB-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