General Information of the Compound
| Compound ID |
CP0486855
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| Compound Name |
(3S)-3-cyclopropyl-3-[3-[[4-(5,5-dimethylcyclopenten-1-yl)-5-(2-fluoro-5-methoxyphenyl)pyridin-2-yl]methoxy]phenyl]propanoic acid
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| Formula |
C32H34FNO4
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| Molecular Weight |
515.625
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| Canonical SMILES |
COc1ccc(F)c(c1)-c1cnc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)cc1C1=CCCC1(C)C
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| InChI |
InChI=1S/C32H34FNO4/c1-32(2)13-5-8-29(32)26-15-22(34-18-28(26)27-16-23(37-3)11-12-30(27)33)19-38-24-7-4-6-21(14-24)25(17-31(35)36)20-9-10-20/h4,6-8,11-12,14-16,18,20,25H,5,9-10,13,17,19H2,1-3H3,(H,35,36)/t25-/m0/s1
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| InChIKey |
JGZMKZHCWGDOPI-VWLOTQADSA-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