General Information of the Compound
| Compound ID |
CP0452225
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| Compound Name |
(E)-3-{2-[(E)-3-(4-Benzyloxy-3-methoxy-phenyl)-propenyl]-phenyl}-acrylic acid; compound with (E)-3-{2-[(E)-3-(4-benzyloxy-3-methoxy-phenyl)-allyl]-phenyl}-acrylic acid
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| Structure |
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| Formula |
C26H24O4
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| Molecular Weight |
400.474
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| Canonical SMILES |
COc1cc(C\C=C\c2ccccc2\C=C\C(O)=O)ccc1OCc1ccccc1
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| InChI |
InChI=1S/C26H24O4/c1-29-25-18-20(14-16-24(25)30-19-21-8-3-2-4-9-21)10-7-13-22-11-5-6-12-23(22)15-17-26(27)28/h2-9,11-18H,10,19H2,1H3,(H,27,28)/b13-7+,17-15+
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| InChIKey |
KPXROINTWUXXMI-YUFDWGCQSA-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: PT00948, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT01534, Prostaglandin E2 receptor EP4 subtype