General Information of the Compound
| Compound ID |
CP0188690
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| Compound Name |
4-[(E)-2-[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxyphenyl]ethenyl]benzonitrile
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| Structure |
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| Formula |
C25H27NO2
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| Molecular Weight |
373.496
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| Canonical SMILES |
CC(C)=CCC\C(C)=C\Cc1c(O)cc(\C=C\c2ccc(cc2)C#N)cc1O
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| InChI |
InChI=1S/C25H27NO2/c1-18(2)5-4-6-19(3)7-14-23-24(27)15-22(16-25(23)28)13-10-20-8-11-21(17-26)12-9-20/h5,7-13,15-16,27-28H,4,6,14H2,1-3H3/b13-10+,19-7+
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| InChIKey |
NMNWDKDLWCEKGG-XFMQDLBBSA-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