General Information of the Compound
| Compound ID |
CP0401617
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| Compound Name |
2-[3-[3-[5-[bis(4-chlorophenyl)methyl]-2-oxopyridin-1-yl]propyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C29H25Cl2NO4
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| Molecular Weight |
522.428
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| Canonical SMILES |
OC(=O)COc1cccc(CCCn2cc(ccc2=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C29H25Cl2NO4/c30-24-11-6-21(7-12-24)29(22-8-13-25(31)14-9-22)23-10-15-27(33)32(18-23)16-2-4-20-3-1-5-26(17-20)36-19-28(34)35/h1,3,5-15,17-18,29H,2,4,16,19H2,(H,34,35)
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| InChIKey |
UIHMHRSBFNNAHK-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