General Information of the Compound
| Compound ID |
CP0501121
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| Compound Name |
4-[(3-Acetyl-phenyl)-piperidin-4-ylidene-methyl]-N,N-diethyl-benzamide
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| Structure |
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| Formula |
C25H30N2O2
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| Molecular Weight |
390.527
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| Canonical SMILES |
CCN(CC)C(=O)c1ccc(cc1)C(=C1CCNCC1)c1cccc(c1)C(C)=O
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| InChI |
InChI=1S/C25H30N2O2/c1-4-27(5-2)25(29)21-11-9-19(10-12-21)24(20-13-15-26-16-14-20)23-8-6-7-22(17-23)18(3)28/h6-12,17,26H,4-5,13-16H2,1-3H3
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| InChIKey |
ZBAGZGHBYQNLID-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