General Information of the Compound
| Compound ID |
CP0509198
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| Compound Name |
2-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]isoindole-1,3-dione
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| Structure |
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| Formula |
C25H21NO5
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| Molecular Weight |
415.445
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| Canonical SMILES |
COc1cc(\C=C\c2ccccc2N2C(=O)c3ccccc3C2=O)cc(OC)c1OC
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| InChI |
InChI=1S/C25H21NO5/c1-29-21-14-16(15-22(30-2)23(21)31-3)12-13-17-8-4-7-11-20(17)26-24(27)18-9-5-6-10-19(18)25(26)28/h4-15H,1-3H3/b13-12+
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| InChIKey |
NOCOUTQKQYXYKX-OUKQBFOZSA-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
Protein ID: PT01555, Oxysterols receptor LXR-alpha
Protein ID: PT01887, Oxysterols receptor LXR-beta