General Information of the Compound
| Compound ID |
CP0401619
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| Compound Name |
2-[3-[3-(5-benzhydryl-2-oxopyridin-1-yl)propyl]phenoxy]butanoic acid
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| Structure |
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| Formula |
C31H31NO4
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| Molecular Weight |
481.592
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| Canonical SMILES |
CCC(Oc1cccc(CCCn2cc(ccc2=O)C(c2ccccc2)c2ccccc2)c1)C(O)=O
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| InChI |
InChI=1S/C31H31NO4/c1-2-28(31(34)35)36-27-17-9-11-23(21-27)12-10-20-32-22-26(18-19-29(32)33)30(24-13-5-3-6-14-24)25-15-7-4-8-16-25/h3-9,11,13-19,21-22,28,30H,2,10,12,20H2,1H3,(H,34,35)
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| InChIKey |
GUOBNAXANFXZDM-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