General Information of the Compound
| Compound ID |
CP0375961
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| Compound Name |
(3-{1-[2-Oxo-3-(4-trifluoromethyl-phenyl)-2H-pyridin-1-yl]-2-pyrrolidin-1-yl-ethyl}-phenoxy)-acetic acid
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| Structure |
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| Formula |
C26H25F3N2O4
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| Molecular Weight |
486.49
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| Canonical SMILES |
OC(=O)COc1cccc(c1)C(CN1CCCC1)n1cccc(-c2ccc(cc2)C(F)(F)F)c1=O
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| InChI |
InChI=1S/C26H25F3N2O4/c27-26(28,29)20-10-8-18(9-11-20)22-7-4-14-31(25(22)34)23(16-30-12-1-2-13-30)19-5-3-6-21(15-19)35-17-24(32)33/h3-11,14-15,23H,1-2,12-13,16-17H2,(H,32,33)
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| InChIKey |
PNPULJCRZWFKKS-UHFFFAOYSA-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: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor