General Information of the Compound
| Compound ID |
CP0441655
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| Compound Name |
4-[3-(2-Benzyloxy-phenyl)-propyl]-benzoic acid
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| Structure |
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| Formula |
C23H22O3
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| Molecular Weight |
346.426
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| Canonical SMILES |
OC(=O)c1ccc(CCCc2ccccc2OCc2ccccc2)cc1
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| InChI |
InChI=1S/C23H22O3/c24-23(25)21-15-13-18(14-16-21)9-6-11-20-10-4-5-12-22(20)26-17-19-7-2-1-3-8-19/h1-5,7-8,10,12-16H,6,9,11,17H2,(H,24,25)
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| InChIKey |
FHQODQOFYNUYNU-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