General Information of the Compound
| Compound ID |
CP0257097
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| Compound Name |
2-[2-[2-(3,4-dimethoxyphenyl)ethyl]phenyl]isoindole-1,3-dione
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| Structure |
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| Formula |
C24H21NO4
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| Molecular Weight |
387.435
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| Canonical SMILES |
COc1ccc(CCc2ccccc2N2C(=O)c3ccccc3C2=O)cc1OC
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| InChI |
InChI=1S/C24H21NO4/c1-28-21-14-12-16(15-22(21)29-2)11-13-17-7-3-6-10-20(17)25-23(26)18-8-4-5-9-19(18)24(25)27/h3-10,12,14-15H,11,13H2,1-2H3
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| InChIKey |
GPIKIQYFADSPRZ-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