General Information of the Compound
| Compound ID |
CP0450585
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| Compound Name |
2-[2-[(E)-2-(4-butylphenyl)ethenyl]phenyl]isoindole-1,3-dione
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| Structure |
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| Formula |
C26H23NO2
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| Molecular Weight |
381.475
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| Canonical SMILES |
CCCCc1ccc(\C=C\c2ccccc2N2C(=O)c3ccccc3C2=O)cc1
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| InChI |
InChI=1S/C26H23NO2/c1-2-3-8-19-13-15-20(16-14-19)17-18-21-9-4-7-12-24(21)27-25(28)22-10-5-6-11-23(22)26(27)29/h4-7,9-18H,2-3,8H2,1H3/b18-17+
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| InChIKey |
GOEYNEMNRYCTJE-ISLYRVAYSA-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