General Information of the Compound
| Compound ID |
CP0568467
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| Compound Name |
(E)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(4-thiophen-2-ylphenyl)prop-2-en-1-one
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| Formula |
C21H18O2S
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| Molecular Weight |
334.44
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| Canonical SMILES |
Cc1cc(\C=C\C(=O)c2ccc(cc2)-c2cccs2)cc(C)c1O
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| InChI |
InChI=1S/C21H18O2S/c1-14-12-16(13-15(2)21(14)23)5-10-19(22)17-6-8-18(9-7-17)20-4-3-11-24-20/h3-13,23H,1-2H3/b10-5+
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| InChIKey |
WYANTWYCXMAWEF-BJMVGYQFSA-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