General Information of the Compound
| Compound ID |
CP0459723
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| Compound Name |
2-[3-[2-(5-benzhydryl-2-oxopyridin-1-yl)ethoxy]phenoxy]acetic acid
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| Structure |
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| Formula |
C28H25NO5
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| Molecular Weight |
455.51
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| Canonical SMILES |
OC(=O)COc1cccc(OCCn2cc(ccc2=O)C(c2ccccc2)c2ccccc2)c1
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| InChI |
InChI=1S/C28H25NO5/c30-26-15-14-23(28(21-8-3-1-4-9-21)22-10-5-2-6-11-22)19-29(26)16-17-33-24-12-7-13-25(18-24)34-20-27(31)32/h1-15,18-19,28H,16-17,20H2,(H,31,32)
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| InChIKey |
FCFSDBQRYVABQI-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: PT00301, Chemoattractant receptor-homologous molecule expressed on Th2 cells
Protein ID: PT01171, Prostaglandin D2 receptor 2