General Information of the Compound
| Compound ID |
CP0439272
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| Compound Name |
1-[1-(4-Diethylamino-phenyl)-2-pyrrolidin-1-yl-ethyl]-3-(4-trifluoromethyl-phenyl)-1H-pyridin-2-one
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| Structure |
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| Formula |
C28H32F3N3O
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| Molecular Weight |
483.578
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| Canonical SMILES |
CCN(CC)c1ccc(cc1)C(CN1CCCC1)n1cccc(-c2ccc(cc2)C(F)(F)F)c1=O
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| InChI |
InChI=1S/C28H32F3N3O/c1-3-33(4-2)24-15-11-22(12-16-24)26(20-32-17-5-6-18-32)34-19-7-8-25(27(34)35)21-9-13-23(14-10-21)28(29,30)31/h7-16,19,26H,3-6,17-18,20H2,1-2H3
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| InChIKey |
XPGJLLTWODTDLV-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