General Information of the Compound
| Compound ID |
CP0191253
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| Compound Name |
2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione
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| Synonyms |
BDBM50298668
CHEMBL575856
N-{4-[2-(4-Methoxyphenyl)ethyl]phenyl}phthalimide
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| Structure |
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| Formula |
C23H19NO3
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| Molecular Weight |
357.409
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| Canonical SMILES |
COc1ccc(CCc2ccc(cc2)N2C(=O)c3ccccc3C2=O)cc1
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| InChI |
InChI=1S/C23H19NO3/c1-27-19-14-10-17(11-15-19)7-6-16-8-12-18(13-9-16)24-22(25)20-4-2-3-5-21(20)23(24)26/h2-5,8-15H,6-7H2,1H3
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| InChIKey |
CRWGIKAUSJNKIC-UHFFFAOYSA-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
Clinical Information about the Compound