General Information of the Compound
| Compound ID |
CP0410533
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| Compound Name |
N,N-diethyl-4-[piperidin-4-ylidene(thiophen-2-yl)methyl]benzamide
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| Structure |
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| Formula |
C21H26N2OS
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| Molecular Weight |
354.519
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| Canonical SMILES |
CCN(CC)C(=O)c1ccc(cc1)C(c1cccs1)=C1CCNCC1
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| InChI |
InChI=1S/C21H26N2OS/c1-3-23(4-2)21(24)18-9-7-16(8-10-18)20(19-6-5-15-25-19)17-11-13-22-14-12-17/h5-10,15,22H,3-4,11-14H2,1-2H3
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| InChIKey |
RVBUOUGRRSNQSV-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