General Information of the Compound
| Compound ID |
CP0571562
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| Compound Name |
(E)-3-(3,5-diethyl-4-hydroxyphenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one
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| Structure |
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| Formula |
C20H22O2S
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| Molecular Weight |
326.461
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| Canonical SMILES |
CCc1cc(\C=C\C(=O)c2ccc(SC)cc2)cc(CC)c1O
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| InChI |
InChI=1S/C20H22O2S/c1-4-15-12-14(13-16(5-2)20(15)22)6-11-19(21)17-7-9-18(23-3)10-8-17/h6-13,22H,4-5H2,1-3H3/b11-6+
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| InChIKey |
PGWKBUGWWIWWSE-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