General Information of the Compound
| Compound ID |
CP0294079
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| Compound Name |
2-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]isoindole-1,3-dione
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| Synonyms |
CHEMBL575857
N-{4-[2-(4-Hydroxyphenyl)ethyl]phenyl}phthalimide
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| Structure |
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| Formula |
C22H17NO3
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| Molecular Weight |
343.382
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| Canonical SMILES |
Oc1ccc(CCc2ccc(cc2)N2C(=O)c3ccccc3C2=O)cc1
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| InChI |
InChI=1S/C22H17NO3/c24-18-13-9-16(10-14-18)6-5-15-7-11-17(12-8-15)23-21(25)19-3-1-2-4-20(19)22(23)26/h1-4,7-14,24H,5-6H2
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| InChIKey |
OFQPQJJVXCUPFR-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