General Information of the Compound
| Compound ID |
CP0432426
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| Compound Name |
1-[1-(4-Methoxy-phenyl)-2-pyrrolidin-1-yl-ethyl]-3-(4-trifluoromethyl-phenyl)-1H-pyridin-2-one
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| Structure |
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| Formula |
C25H25F3N2O2
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| Molecular Weight |
442.481
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| Canonical SMILES |
COc1ccc(cc1)C(CN1CCCC1)n1cccc(-c2ccc(cc2)C(F)(F)F)c1=O
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| InChI |
InChI=1S/C25H25F3N2O2/c1-32-21-12-8-19(9-13-21)23(17-29-14-2-3-15-29)30-16-4-5-22(24(30)31)18-6-10-20(11-7-18)25(26,27)28/h4-13,16,23H,2-3,14-15,17H2,1H3
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| InChIKey |
KKELZZUYLVXWKR-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