General Information of the Compound
| Compound ID |
CP0439840
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| Compound Name |
N,N-diethyl-4-[[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]-quinolin-8-ylmethyl]benzamide
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| Structure |
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| Formula |
C33H34FN3O
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| Molecular Weight |
507.653
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| Canonical SMILES |
CCN(CC)C(=O)c1ccc(cc1)C(=C1CCN(Cc2ccc(F)cc2)CC1)c1cccc2cccnc12
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| InChI |
InChI=1S/C33H34FN3O/c1-3-37(4-2)33(38)28-14-12-25(13-15-28)31(30-9-5-7-27-8-6-20-35-32(27)30)26-18-21-36(22-19-26)23-24-10-16-29(34)17-11-24/h5-17,20H,3-4,18-19,21-23H2,1-2H3
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| InChIKey |
JYXLNCZUBWPSBA-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: PT01515, Mu-type opioid receptor