General Information of the Compound
| Compound ID |
CP0395914
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| Compound Name |
4-[(E)-2-[2-(1,3-dioxoisoindol-2-yl)phenyl]ethenyl]benzonitrile
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| Structure |
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| Formula |
C23H14N2O2
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| Molecular Weight |
350.377
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| Canonical SMILES |
O=C1N(C(=O)c2ccccc12)c1ccccc1\C=C\c1ccc(cc1)C#N
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| InChI |
InChI=1S/C23H14N2O2/c24-15-17-11-9-16(10-12-17)13-14-18-5-1-4-8-21(18)25-22(26)19-6-2-3-7-20(19)23(25)27/h1-14H/b14-13+
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| InChIKey |
QRRHIDZEDDNRNY-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