General Information of the Compound
| Compound ID |
CP0571183
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| Compound Name |
(E)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(4-methylsulfonylphenyl)prop-2-en-1-one
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| Structure |
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| Formula |
C18H18O4S
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| Molecular Weight |
330.405
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| Canonical SMILES |
Cc1cc(\C=C\C(=O)c2ccc(cc2)S(C)(=O)=O)cc(C)c1O
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| InChI |
InChI=1S/C18H18O4S/c1-12-10-14(11-13(2)18(12)20)4-9-17(19)15-5-7-16(8-6-15)23(3,21)22/h4-11,20H,1-3H3/b9-4+
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| InChIKey |
INTNLMHRANSODS-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