General Information of the Compound
| Compound ID |
CP0404549
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| Compound Name |
2-[(2S)-1-[5-[(2,4-dichlorophenyl)methoxy]pyridin-2-yl]pyrrolidin-2-yl]acetic acid
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| Structure |
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| Formula |
C18H18Cl2N2O3
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| Molecular Weight |
381.259
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| Canonical SMILES |
OC(=O)C[C@@H]1CCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cn1
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| InChI |
InChI=1S/C18H18Cl2N2O3/c19-13-4-3-12(16(20)8-13)11-25-15-5-6-17(21-10-15)22-7-1-2-14(22)9-18(23)24/h3-6,8,10,14H,1-2,7,9,11H2,(H,23,24)/t14-/m0/s1
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| InChIKey |
DKJOCNYBJXKBFL-AWEZNQCLSA-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