General Information of the Compound
| Compound ID |
CP0487158
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| Compound Name |
4-[2,6-difluoro-4-[2-(propan-2-ylamino)phenyl]phenoxy]butanoic acid
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| Structure |
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| Formula |
C19H21F2NO3
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| Molecular Weight |
349.377
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| Canonical SMILES |
CC(C)Nc1ccccc1-c1cc(F)c(OCCCC(O)=O)c(F)c1
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| InChI |
InChI=1S/C19H21F2NO3/c1-12(2)22-17-7-4-3-6-14(17)13-10-15(20)19(16(21)11-13)25-9-5-8-18(23)24/h3-4,6-7,10-12,22H,5,8-9H2,1-2H3,(H,23,24)
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| InChIKey |
MJIHTXRLLGJVAM-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: PT04427, Free fatty acid receptor 4