General Information of the Compound
| Compound ID |
CP0563563
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| Compound Name |
2-[2,6-dimethyl-4-[(E)-3-(4-methylsulfanylphenyl)-3-oxoprop-1-enyl]phenoxy]butanoic acid
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| Formula |
C22H24O4S
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| Molecular Weight |
384.497
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| Canonical SMILES |
CCC(Oc1c(C)cc(\C=C\C(=O)c2ccc(SC)cc2)cc1C)C(O)=O
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| InChI |
InChI=1S/C22H24O4S/c1-5-20(22(24)25)26-21-14(2)12-16(13-15(21)3)6-11-19(23)17-7-9-18(27-4)10-8-17/h6-13,20H,5H2,1-4H3,(H,24,25)/b11-6+
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| InChIKey |
NUTNWDSYPXIWQM-IZZDOVSWSA-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