General Information of the Compound
| Compound ID |
CP0252074
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| Compound Name |
(E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-octylprop-2-enamide
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| Structure |
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| Formula |
C28H37NO4
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| Molecular Weight |
451.607
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| Canonical SMILES |
CCCCCCCCNC(=O)\C=C\c1c(OC)cc(OC)cc1\C=C\c1ccc(OC)cc1
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| InChI |
InChI=1S/C28H37NO4/c1-5-6-7-8-9-10-19-29-28(30)18-17-26-23(20-25(32-3)21-27(26)33-4)14-11-22-12-15-24(31-2)16-13-22/h11-18,20-21H,5-10,19H2,1-4H3,(H,29,30)/b14-11+,18-17+
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| InChIKey |
YPUUGRNXIVFRLY-LWVORGKXSA-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: PT01062, Prostaglandin G/H synthase 2
Cell Viability or Cytotoxicity Assay