General Information of the Compound
| Compound ID |
CP0448147
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| Compound Name |
N,N-diethyl-4-[piperidin-4-ylidene-[3-(trifluoromethyl)phenyl]methyl]benzamide
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| Structure |
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| Formula |
C24H27F3N2O
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| Molecular Weight |
416.487
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| Canonical SMILES |
CCN(CC)C(=O)c1ccc(cc1)C(=C1CCNCC1)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C24H27F3N2O/c1-3-29(4-2)23(30)19-10-8-17(9-11-19)22(18-12-14-28-15-13-18)20-6-5-7-21(16-20)24(25,26)27/h5-11,16,28H,3-4,12-15H2,1-2H3
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| InChIKey |
PNKQYVNKYVDKMJ-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