General Information of the Compound
| Compound ID |
CP0363604
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| Compound Name |
(E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1-pyrrolidin-1-ylprop-2-en-1-one
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| Structure |
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| Formula |
C24H27NO4
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| Molecular Weight |
393.483
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| Canonical SMILES |
COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)N2CCCC2)cc1
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| InChI |
InChI=1S/C24H27NO4/c1-27-20-10-7-18(8-11-20)6-9-19-16-21(28-2)17-23(29-3)22(19)12-13-24(26)25-14-4-5-15-25/h6-13,16-17H,4-5,14-15H2,1-3H3/b9-6+,13-12+
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| InChIKey |
FFAKYUWCCVGJAA-UXKPLKHMSA-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