General Information of the Compound
| Compound ID |
CP0519319
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| Compound Name |
(E)-3-[4-[(E)-1-(1,3-benzothiazol-6-yl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C26H21NO2S
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| Molecular Weight |
411.526
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| Canonical SMILES |
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2ncsc2c1)c1ccccc1
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| InChI |
InChI=1S/C26H21NO2S/c1-2-22(19-6-4-3-5-7-19)26(21-13-14-23-24(16-21)30-17-27-23)20-11-8-18(9-12-20)10-15-25(28)29/h3-17H,2H2,1H3,(H,28,29)/b15-10+,26-22+
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| InChIKey |
MVAQPNJXDLBMSQ-YJFMDEFYSA-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