General Information of the Compound
| Compound ID |
CP0462059
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| Compound Name |
3-Methyl-1-phenethyl-4-(phenyl-propionyl-amino)-piperidine-4-carboxylic acid methyl ester
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| Synonyms |
(-)-Methyl cis-3-methyl-1-phenethyl-4-(N-phenylpropionamido)isonipecotate oxalate (1:1)
61380-41-4
AC1L23D4
D04764
EINECS 262-750-7
FT-0670830
LOFENTANIL
Lofentanil oxalate
Lofentanil oxalate (USAN)
Lofentanil oxalate [USAN]
Lofentaniloxalat
R 34,995
R 34995
UNII-6C1599T3OQ component CBKLICUQYUTWQL-XWGBWKJCSA-N
cis-(-)-4-(Methoxycarbonyl)-3-methyl-1-phenethyl-4-(N-phenylpropionylamino)piperidinium hydrogen oxalate
methyl (3S,4R)-3-methyl-1-phenethyl-4-(N-propanoylanilino)piperidine-4-carboxylate
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| Structure |
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| Formula |
C25H32N2O3
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| Molecular Weight |
408.542
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| Canonical SMILES |
CCC(=O)N(c1ccccc1)[C@]1(CCN(CCc2ccccc2)C[C@H]1C)C(=O)OC
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| InChI |
InChI=1S/C25H32N2O3/c1-4-23(28)27(22-13-9-6-10-14-22)25(24(29)30-3)16-18-26(19-20(25)2)17-15-21-11-7-5-8-12-21/h5-14,20H,4,15-19H2,1-3H3/t20-,25+/m1/s1
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| InChIKey |
IMYHGORQCPYVBZ-NLFFAJNJSA-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: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor
Clinical Information about the Compound