General Information of the Compound
| Compound ID |
CP0431454
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| Compound Name |
2-[2-cyano-5-(thiophen-3-ylmethoxy)phenoxy]-2-(2-methoxyphenyl)acetic acid
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| Structure |
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| Formula |
C21H17NO5S
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| Molecular Weight |
395.436
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| Canonical SMILES |
COc1ccccc1C(Oc1cc(OCc2ccsc2)ccc1C#N)C(O)=O
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| InChI |
InChI=1S/C21H17NO5S/c1-25-18-5-3-2-4-17(18)20(21(23)24)27-19-10-16(7-6-15(19)11-22)26-12-14-8-9-28-13-14/h2-10,13,20H,12H2,1H3,(H,23,24)
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| InChIKey |
KLGOTHVVBCZAAC-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