General Information of the Compound
| Compound ID |
CP0401618
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| Compound Name |
2-[3-[3-[5-[bis(4-methylphenyl)methyl]-2-oxopyridin-1-yl]propyl]phenoxy]acetic 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 |
Cc1ccc(cc1)C(c1ccc(C)cc1)c1ccc(=O)n(CCCc2cccc(OCC(O)=O)c2)c1
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| InChI |
InChI=1S/C31H31NO4/c1-22-8-12-25(13-9-22)31(26-14-10-23(2)11-15-26)27-16-17-29(33)32(20-27)18-4-6-24-5-3-7-28(19-24)36-21-30(34)35/h3,5,7-17,19-20,31H,4,6,18,21H2,1-2H3,(H,34,35)
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| InChIKey |
CTUGUUZDYUQBCO-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