General Information of the Compound
| Compound ID |
CP0463296
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| Compound Name |
2-[(2S)-1-[4-(4-methylphenoxy)phenyl]pyrrolidin-2-yl]acetic acid
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| Structure |
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| Formula |
C19H21NO3
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| Molecular Weight |
311.381
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| Canonical SMILES |
Cc1ccc(Oc2ccc(cc2)N2CCC[C@H]2CC(O)=O)cc1
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| InChI |
InChI=1S/C19H21NO3/c1-14-4-8-17(9-5-14)23-18-10-6-15(7-11-18)20-12-2-3-16(20)13-19(21)22/h4-11,16H,2-3,12-13H2,1H3,(H,21,22)/t16-/m0/s1
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| InChIKey |
YGNWANUNGJNBAM-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