General Information of the Compound
| Compound ID |
CP0477155
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| Compound Name |
(E)-3-[4-[(E)-1-(2-methyl-1,3-benzothiazol-5-yl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C27H23NO2S
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| Molecular Weight |
425.553
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| Canonical SMILES |
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2sc(C)nc2c1)c1ccccc1
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| InChI |
InChI=1S/C27H23NO2S/c1-3-23(20-7-5-4-6-8-20)27(21-12-9-19(10-13-21)11-16-26(29)30)22-14-15-25-24(17-22)28-18(2)31-25/h4-17H,3H2,1-2H3,(H,29,30)/b16-11+,27-23+
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| InChIKey |
IGMSVGFMODVLSV-TZZSVADHSA-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