General Information of the Compound
| Compound ID |
CP0331637
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| Compound Name |
2-[(2S)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]pyrrolidin-2-yl]acetic acid
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| Structure |
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| Formula |
C19H19Cl2NO3
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| Molecular Weight |
380.271
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| Canonical SMILES |
OC(=O)C[C@@H]1CCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1
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| InChI |
InChI=1S/C19H19Cl2NO3/c20-14-4-3-13(18(21)10-14)12-25-17-7-5-15(6-8-17)22-9-1-2-16(22)11-19(23)24/h3-8,10,16H,1-2,9,11-12H2,(H,23,24)/t16-/m0/s1
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| InChIKey |
JHSUHETWKPTXFJ-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
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma