General Information of the Compound
| Compound ID |
CP0397720
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| Compound Name |
4-[(2,6-Dimethyl-phenyl)-piperidin-4-ylidene-methyl]-N,N-diethyl-benzamide
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| Structure |
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| Formula |
C25H32N2O
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| Molecular Weight |
376.544
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| Canonical SMILES |
CCN(CC)C(=O)c1ccc(cc1)C(=C1CCNCC1)c1c(C)cccc1C
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| InChI |
InChI=1S/C25H32N2O/c1-5-27(6-2)25(28)22-12-10-20(11-13-22)24(21-14-16-26-17-15-21)23-18(3)8-7-9-19(23)4/h7-13,26H,5-6,14-17H2,1-4H3
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| InChIKey |
VRGXOXPEPQLCSM-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