General Information of the Compound
| Compound ID |
CP0876321
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| Compound Name |
3-[4-({2',6'-Dimethyl-4'-[(6-methylpyridin-2-yl)oxy]-biphenyl-3-yl}methoxy)-2-fluorophenyl]propanoic Acid Hydrochloride
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| Structure |
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| Formula |
C30H29ClFNO4
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| Molecular Weight |
522.016
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| Canonical SMILES |
Cc1cccc(Oc2cc(C)c(-c3cccc(COc4ccc(CCC(=O)O)c(F)c4)c3)c(C)c2)n1.Cl
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| InChI |
InChI=1S/C30H28FNO4.ClH/c1-19-14-26(36-28-9-4-6-21(3)32-28)15-20(2)30(19)24-8-5-7-22(16-24)18-35-25-12-10-23(27(31)17-25)11-13-29(33)34;/h4-10,12,14-17H,11,13,18H2,1-3H3,(H,33,34);1H
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| InChIKey |
UKMAWYUXYLLGDA-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: PT02793, Free fatty acid receptor 1
Protein ID: PT02522, Free fatty acid receptor 1