General Information of the Compound
| Compound ID |
CP0463298
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| Compound Name |
2-[(2S)-1-[4-[3-(2-fluoro-5-methoxyphenyl)-2-methylphenoxy]phenyl]pyrrolidin-2-yl]acetic acid
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| Structure |
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| Formula |
C26H26FNO4
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| Molecular Weight |
435.495
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| Canonical SMILES |
COc1ccc(F)c(c1)-c1cccc(Oc2ccc(cc2)N2CCC[C@H]2CC(O)=O)c1C
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| InChI |
InChI=1S/C26H26FNO4/c1-17-22(23-16-21(31-2)12-13-24(23)27)6-3-7-25(17)32-20-10-8-18(9-11-20)28-14-4-5-19(28)15-26(29)30/h3,6-13,16,19H,4-5,14-15H2,1-2H3,(H,29,30)/t19-/m0/s1
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| InChIKey |
VEOLGWAHAMQTCL-IBGZPJMESA-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: PT04613, Free fatty acid receptor 1