General Information of the Compound
| Compound ID |
CP0493252
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| Compound Name |
2-[(2S,4S)-1-[4-(2,3-dimethylphenoxy)phenyl]-4-(trifluoromethyl)pyrrolidin-2-yl]acetic acid
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| Structure |
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| Formula |
C21H22F3NO3
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| Molecular Weight |
393.405
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| Canonical SMILES |
Cc1cccc(Oc2ccc(cc2)N2C[C@H](C[C@H]2CC(O)=O)C(F)(F)F)c1C
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| InChI |
InChI=1S/C21H22F3NO3/c1-13-4-3-5-19(14(13)2)28-18-8-6-16(7-9-18)25-12-15(21(22,23)24)10-17(25)11-20(26)27/h3-9,15,17H,10-12H2,1-2H3,(H,26,27)/t15-,17-/m0/s1
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| InChIKey |
MFAOIXIELVAOPT-RDJZCZTQSA-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