General Information of the Compound
| Compound ID |
CP0463272
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| Compound Name |
2-[(2S,4S)-1-[4-[2-(trifluoromethoxy)phenoxy]phenyl]-4-(trifluoromethyl)pyrrolidin-2-yl]acetic acid
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| Structure |
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| Formula |
C20H17F6NO4
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| Molecular Weight |
449.347
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| Canonical SMILES |
OC(=O)C[C@@H]1C[C@@H](CN1c1ccc(Oc2ccccc2OC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C20H17F6NO4/c21-19(22,23)12-9-14(10-18(28)29)27(11-12)13-5-7-15(8-6-13)30-16-3-1-2-4-17(16)31-20(24,25)26/h1-8,12,14H,9-11H2,(H,28,29)/t12-,14-/m0/s1
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| InChIKey |
TVXOVCKZHVNQJQ-JSGCOSHPSA-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