General Information of the Compound
| Compound ID |
CP0038016
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| Compound Name |
2-[3-[2-(3,4-dihydroxyphenyl)ethyl]phenyl]isoindole-1,3-dione
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| Structure |
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| Formula |
C22H17NO4
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| Molecular Weight |
359.381
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| Canonical SMILES |
Oc1ccc(CCc2cccc(c2)N2C(=O)c3ccccc3C2=O)cc1O
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| InChI |
InChI=1S/C22H17NO4/c24-19-11-10-15(13-20(19)25)9-8-14-4-3-5-16(12-14)23-21(26)17-6-1-2-7-18(17)22(23)27/h1-7,10-13,24-25H,8-9H2
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| InChIKey |
RQVFGVOHYJNEGD-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