General Information of the Compound
| Compound ID |
CP0404540
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| Compound Name |
2-[(2S)-1-[4-(2-methylphenyl)sulfonylphenyl]pyrrolidin-2-yl]acetic acid
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| Structure |
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| Formula |
C19H21NO4S
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| Molecular Weight |
359.447
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| Canonical SMILES |
Cc1ccccc1S(=O)(=O)c1ccc(cc1)N1CCC[C@H]1CC(O)=O
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| InChI |
InChI=1S/C19H21NO4S/c1-14-5-2-3-7-18(14)25(23,24)17-10-8-15(9-11-17)20-12-4-6-16(20)13-19(21)22/h2-3,5,7-11,16H,4,6,12-13H2,1H3,(H,21,22)/t16-/m0/s1
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| InChIKey |
KEBMTQUUYBYPGI-INIZCTEOSA-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