General Information of the Compound
| Compound ID |
CP0411765
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| Compound Name |
2-[(2S,4S)-4-methoxy-1-[4-(2-methylphenoxy)phenyl]pyrrolidin-2-yl]acetic acid
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| Structure |
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| Formula |
C20H23NO4
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| Molecular Weight |
341.407
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| Canonical SMILES |
CO[C@H]1C[C@@H](CC(O)=O)N(C1)c1ccc(Oc2ccccc2C)cc1
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| InChI |
InChI=1S/C20H23NO4/c1-14-5-3-4-6-19(14)25-17-9-7-15(8-10-17)21-13-18(24-2)11-16(21)12-20(22)23/h3-10,16,18H,11-13H2,1-2H3,(H,22,23)/t16-,18-/m0/s1
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| InChIKey |
ICLVOAQOGKOXII-WMZOPIPTSA-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: PT04613, Free fatty acid receptor 1
Protein ID: PT02793, Free fatty acid receptor 1