General Information of the Compound
| Compound ID |
CP0448125
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| Compound Name |
N,N-diethyl-4-[naphthalen-1-yl(piperidin-4-ylidene)methyl]benzamide
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| Structure |
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| Formula |
C27H30N2O
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| Molecular Weight |
398.55
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| Canonical SMILES |
CCN(CC)C(=O)c1ccc(cc1)C(=C1CCNCC1)c1cccc2ccccc12
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| InChI |
InChI=1S/C27H30N2O/c1-3-29(4-2)27(30)23-14-12-21(13-15-23)26(22-16-18-28-19-17-22)25-11-7-9-20-8-5-6-10-24(20)25/h5-15,28H,3-4,16-19H2,1-2H3
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| InChIKey |
CPHAHFDIIAGWSH-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