General Information of the Compound
| Compound ID |
CP0463984
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| Compound Name |
3-(2,6-Dimethoxy-phenyl)-1-[2-(3-hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-1H-pyridin-2-one
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| Structure |
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| Formula |
C25H28N2O4
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| Molecular Weight |
420.509
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| Canonical SMILES |
COc1cccc(OC)c1-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O
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| InChI |
InChI=1S/C25H28N2O4/c1-30-22-11-6-12-23(31-2)24(22)20-10-7-14-27(25(20)29)21(18-8-4-3-5-9-18)17-26-15-13-19(28)16-26/h3-12,14,19,21,28H,13,15-17H2,1-2H3
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| InChIKey |
RJSCHJNECJRYPS-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