General Information of the Compound
| Compound ID |
CP0568466
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| Compound Name |
(E)-3-(4-hydroxy-3-methylphenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one
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| Formula |
C17H16O2S
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| Molecular Weight |
284.38
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| Canonical SMILES |
CSc1ccc(cc1)C(=O)\C=C\c1ccc(O)c(C)c1
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| InChI |
InChI=1S/C17H16O2S/c1-12-11-13(3-9-16(12)18)4-10-17(19)14-5-7-15(20-2)8-6-14/h3-11,18H,1-2H3/b10-4+
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| InChIKey |
GGIXQMMATOKHLO-ONNFQVAWSA-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