General Information of the Compound
| Compound ID |
CP0462785
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| Compound Name |
1-[2-(3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-3-(3-trifluoromethoxy-phenyl)-1H-pyridin-2-one
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| Structure |
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| Formula |
C24H23F3N2O3
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| Molecular Weight |
444.453
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| Canonical SMILES |
OC1CCN(CC(c2ccccc2)n2cccc(-c3cccc(OC(F)(F)F)c3)c2=O)C1
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| InChI |
InChI=1S/C24H23F3N2O3/c25-24(26,27)32-20-9-4-8-18(14-20)21-10-5-12-29(23(21)31)22(17-6-2-1-3-7-17)16-28-13-11-19(30)15-28/h1-10,12,14,19,22,30H,11,13,15-16H2
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| InChIKey |
YURULKGWGZYSBI-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