General Information of the Compound
| Compound ID |
CP0380760
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| Compound Name |
3-[(2R)-6-(6-cyclobutyloxy-3-fluoro-4-methoxypyridin-2-yl)-3,4-dihydro-2H-chromen-2-yl]propanoic acid
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| Structure |
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| Formula |
C22H24FNO5
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| Molecular Weight |
401.434
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| Canonical SMILES |
COc1cc(OC2CCC2)nc(c1F)-c1ccc2O[C@@H](CCC(O)=O)CCc2c1
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| InChI |
InChI=1S/C22H24FNO5/c1-27-18-12-19(29-15-3-2-4-15)24-22(21(18)23)14-6-9-17-13(11-14)5-7-16(28-17)8-10-20(25)26/h6,9,11-12,15-16H,2-5,7-8,10H2,1H3,(H,25,26)/t16-/m1/s1
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| InChIKey |
WEVAGPPINDHSPL-MRXNPFEDSA-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