General Information of the Compound
| Compound ID |
CP0463289
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| Compound Name |
2-[(2S)-1-[4-[(2,4-dichlorophenyl)methoxy]-2-methylphenyl]pyrrolidin-2-yl]acetic acid
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| Structure |
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| Formula |
C20H21Cl2NO3
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| Molecular Weight |
394.298
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| Canonical SMILES |
Cc1cc(OCc2ccc(Cl)cc2Cl)ccc1N1CCC[C@H]1CC(O)=O
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| InChI |
InChI=1S/C20H21Cl2NO3/c1-13-9-17(26-12-14-4-5-15(21)10-18(14)22)6-7-19(13)23-8-2-3-16(23)11-20(24)25/h4-7,9-10,16H,2-3,8,11-12H2,1H3,(H,24,25)/t16-/m0/s1
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| InChIKey |
DCOYDDQUSJYDSB-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