General Information of the Compound
| Compound ID |
CP0404232
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| Compound Name |
3-(2-Phenoxymethyl-[1,1';3',1'']terphenyl-2''-yl)-propionic acid
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| Structure |
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| Formula |
C28H24O3
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| Molecular Weight |
408.497
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| Canonical SMILES |
OC(=O)CCc1ccccc1-c1cccc(c1)-c1ccccc1COc1ccccc1
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| InChI |
InChI=1S/C28H24O3/c29-28(30)18-17-21-9-4-6-15-26(21)22-11-8-12-23(19-22)27-16-7-5-10-24(27)20-31-25-13-2-1-3-14-25/h1-16,19H,17-18,20H2,(H,29,30)
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| InChIKey |
GKQODGVXWSWQQH-UHFFFAOYSA-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: PT01205, Prostaglandin E2 receptor EP1 subtype
Protein ID: PT00948, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT01367, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT01534, Prostaglandin E2 receptor EP4 subtype