General Information of the Compound
| Compound ID |
CP0467715
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| Compound Name |
N-(4-amino-2-methylquinolin-6-yl)-2-[[4-[[10-[[4-[[2-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methoxy]phenyl]methylamino]decylamino]methyl]phenoxy]methyl]benzamide
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| Structure |
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| Formula |
C60H66N8O4
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| Molecular Weight |
963.24
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| Canonical SMILES |
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
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| InChI |
InChI=1S/C60H66N8O4/c1-41-33-55(61)53-35-47(23-29-57(53)65-41)67-59(69)51-17-11-9-15-45(51)39-71-49-25-19-43(20-26-49)37-63-31-13-7-5-3-4-6-8-14-32-64-38-44-21-27-50(28-22-44)72-40-46-16-10-12-18-52(46)60(70)68-48-24-30-58-54(36-48)56(62)34-42(2)66-58/h9-12,15-30,33-36,63-64H,3-8,13-14,31-32,37-40H2,1-2H3,(H2,61,65)(H2,62,66)(H,67,69)(H,68,70)
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| InChIKey |
ODMUFWVINBBREW-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: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor