General Information of the Compound
| Compound ID |
CP0562274
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| Compound Name |
2-[2,6-dimethyl-4-[(E)-3-(4-methylsulfanylphenyl)-3-oxoprop-1-enyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C20H20O4S
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| Molecular Weight |
356.443
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| Canonical SMILES |
CSc1ccc(cc1)C(=O)\C=C\c1cc(C)c(OCC(O)=O)c(C)c1
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| InChI |
InChI=1S/C20H20O4S/c1-13-10-15(11-14(2)20(13)24-12-19(22)23)4-9-18(21)16-5-7-17(25-3)8-6-16/h4-11H,12H2,1-3H3,(H,22,23)/b9-4+
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| InChIKey |
HPYMCGXNFIZOGE-RUDMXATFSA-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