General Information of the Compound
| Compound ID |
CP0401042
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| Compound Name |
2-[2-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]isoindole-1,3-dione
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| Structure |
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| Formula |
C23H17NO3
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| Molecular Weight |
355.393
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| Canonical SMILES |
COc1cccc(\C=C\c2ccccc2N2C(=O)c3ccccc3C2=O)c1
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| InChI |
InChI=1S/C23H17NO3/c1-27-18-9-6-7-16(15-18)13-14-17-8-2-5-12-21(17)24-22(25)19-10-3-4-11-20(19)23(24)26/h2-15H,1H3/b14-13+
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| InChIKey |
PNEXAUQACLLQLX-BUHFOSPRSA-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