General Information of the Compound
| Compound ID |
CP0380097
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| Compound Name |
2-[2-[(E)-2-(4-tert-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 |
CC(C)(C)c1ccc(\C=C\c2ccccc2N2C(=O)c3ccccc3C2=O)cc1
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| InChI |
InChI=1S/C26H23NO2/c1-26(2,3)20-16-13-18(14-17-20)12-15-19-8-4-7-11-23(19)27-24(28)21-9-5-6-10-22(21)25(27)29/h4-17H,1-3H3/b15-12+
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| InChIKey |
LQRNEZAKFFQFIO-NTCAYCPXSA-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