General Information of the Compound
| Compound ID |
CP0542678
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| Compound Name |
(E)-3-[4-[(E)-1-(6-oxo-1H-pyridin-3-yl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C24H21NO3
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| Molecular Weight |
371.436
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| Canonical SMILES |
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc(O)nc1)c1ccccc1
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| InChI |
InChI=1S/C24H21NO3/c1-2-21(18-6-4-3-5-7-18)24(20-13-14-22(26)25-16-20)19-11-8-17(9-12-19)10-15-23(27)28/h3-16H,2H2,1H3,(H,25,26)(H,27,28)/b15-10+,24-21+
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| InChIKey |
WHSLMGBEOADGJP-UKFCVPMUSA-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