General Information of the Compound
| Compound ID |
CP0562275
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| Compound Name |
(E)-3-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-1-(4-methylsulfanylphenyl)prop-2-en-1-one
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| Formula |
C20H22O3S
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| Molecular Weight |
342.46
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| Canonical SMILES |
CSc1ccc(cc1)C(=O)\C=C\c1cc(C)c(OCCO)c(C)c1
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| InChI |
InChI=1S/C20H22O3S/c1-14-12-16(13-15(2)20(14)23-11-10-21)4-9-19(22)17-5-7-18(24-3)8-6-17/h4-9,12-13,21H,10-11H2,1-3H3/b9-4+
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| InChIKey |
XMLTZANZJAQSEC-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