General Information of the Compound
| Compound ID |
CP0038013
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| Compound Name |
2-[3-(2-phenylethyl)phenyl]isoindole-1,3-dione
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| Structure |
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| Formula |
C22H17NO2
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| Molecular Weight |
327.383
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| Canonical SMILES |
O=C1N(C(=O)c2ccccc12)c1cccc(CCc2ccccc2)c1
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| InChI |
InChI=1S/C22H17NO2/c24-21-19-11-4-5-12-20(19)22(25)23(21)18-10-6-9-17(15-18)14-13-16-7-2-1-3-8-16/h1-12,15H,13-14H2
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| InChIKey |
DJMIPAXALMXBNX-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