General Information of the Compound
| Compound ID |
CP0384186
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| Compound Name |
4-[(1-Cyclohexyl-piperidin-4-ylidene)-phenyl-methyl]-N,N-diethyl-benzamide
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| Structure |
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| Formula |
C29H38N2O
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| Molecular Weight |
430.636
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| Canonical SMILES |
CCN(CC)C(=O)c1ccc(cc1)C(=C1CCN(CC1)C1CCCCC1)c1ccccc1
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| InChI |
InChI=1S/C29H38N2O/c1-3-30(4-2)29(32)26-17-15-24(16-18-26)28(23-11-7-5-8-12-23)25-19-21-31(22-20-25)27-13-9-6-10-14-27/h5,7-8,11-12,15-18,27H,3-4,6,9-10,13-14,19-22H2,1-2H3
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| InChIKey |
QWYZPSAIFWTNDR-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