General Information of the Compound
| Compound ID |
CP0960219
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| Compound Name |
3-(4-((4-Fluoro-[1,1'-biphenyl]-2-yl)methoxy)phenyl)propanoic-2,2-d2 acid
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| Structure |
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| Formula |
C22H19FO3
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| Molecular Weight |
352.4012036
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| Canonical SMILES |
[2H]C([2H])(Cc1ccc(OCc2cc(F)ccc2-c2ccccc2)cc1)C(=O)O
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| InChI |
InChI=1S/C22H19FO3/c23-19-9-12-21(17-4-2-1-3-5-17)18(14-19)15-26-20-10-6-16(7-11-20)8-13-22(24)25/h1-7,9-12,14H,8,13,15H2,(H,24,25)/i13D2
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| InChIKey |
XACUVPAYSAXEIP-KLTYLHELSA-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: PT04427, Free fatty acid receptor 4