General Information of the Compound
| Compound ID |
CP0396432
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| Compound Name |
2-[2-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenyl]isoindole-1,3-dione
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| Structure |
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| Formula |
C24H19NO2
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| Molecular Weight |
353.421
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| Canonical SMILES |
Cc1cc(C)cc(\C=C\c2ccccc2N2C(=O)c3ccccc3C2=O)c1
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| InChI |
InChI=1S/C24H19NO2/c1-16-13-17(2)15-18(14-16)11-12-19-7-3-6-10-22(19)25-23(26)20-8-4-5-9-21(20)24(25)27/h3-15H,1-2H3/b12-11+
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| InChIKey |
IGNWLZAEYVNZHK-VAWYXSNFSA-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