General Information of the Compound
| Compound ID |
CP0544169
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| Compound Name |
5-[2,6-dimethyl-4-[(E)-3-(4-methylsulfanylphenyl)-3-oxoprop-1-enyl]phenoxy]pentanoic acid
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| Formula |
C23H26O4S
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| Molecular Weight |
398.524
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| Canonical SMILES |
CSc1ccc(cc1)C(=O)\C=C\c1cc(C)c(OCCCCC(O)=O)c(C)c1
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| InChI |
InChI=1S/C23H26O4S/c1-16-14-18(7-12-21(24)19-8-10-20(28-3)11-9-19)15-17(2)23(16)27-13-5-4-6-22(25)26/h7-12,14-15H,4-6,13H2,1-3H3,(H,25,26)/b12-7+
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| InChIKey |
RLLAVYLLEFQNHS-KPKJPENVSA-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