General Information of the Compound
| Compound ID |
CP0392331
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| Compound Name |
4-[(1-Butyl-piperidin-4-ylidene)-phenyl-methyl]-N,N-diethyl-benzamide
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| Structure |
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| Formula |
C27H36N2O
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| Molecular Weight |
404.598
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| Canonical SMILES |
CCCCN1CCC(CC1)=C(c1ccccc1)c1ccc(cc1)C(=O)N(CC)CC
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| InChI |
InChI=1S/C27H36N2O/c1-4-7-19-28-20-17-24(18-21-28)26(22-11-9-8-10-12-22)23-13-15-25(16-14-23)27(30)29(5-2)6-3/h8-16H,4-7,17-21H2,1-3H3
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| InChIKey |
IBGYSLZJAPQZEL-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