General Information of the Compound
| Compound ID |
CP0484059
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| Compound Name |
(E)-3-[4-[(E)-2-phenyl-1-[4-(1,3-thiazol-4-yl)phenyl]but-1-enyl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C28H23NO2S
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| Molecular Weight |
437.564
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| Canonical SMILES |
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc(cc1)-c1cscn1)c1ccccc1
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| InChI |
InChI=1S/C28H23NO2S/c1-2-25(21-6-4-3-5-7-21)28(23-11-8-20(9-12-23)10-17-27(30)31)24-15-13-22(14-16-24)26-18-32-19-29-26/h3-19H,2H2,1H3,(H,30,31)/b17-10+,28-25+
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| InChIKey |
AYBBGNZJFZCOTQ-CCUDOUGISA-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