General Information of the Compound
| Compound ID |
CP0463291
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| Compound Name |
2-[(2S)-1-[4-[3-(dimethylamino)phenoxy]phenyl]pyrrolidin-2-yl]acetic acid
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| Structure |
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| Formula |
C20H24N2O3
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| Molecular Weight |
340.423
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| Canonical SMILES |
CN(C)c1cccc(Oc2ccc(cc2)N2CCC[C@H]2CC(O)=O)c1
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| InChI |
InChI=1S/C20H24N2O3/c1-21(2)16-5-3-7-19(13-16)25-18-10-8-15(9-11-18)22-12-4-6-17(22)14-20(23)24/h3,5,7-11,13,17H,4,6,12,14H2,1-2H3,(H,23,24)/t17-/m0/s1
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| InChIKey |
CGMYHYCUGZPGSU-KRWDZBQOSA-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