General Information of the Compound
| Compound ID |
CP0464762
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| Compound Name |
N-(4-amino-2-methylquinolin-6-yl)-2-[[4-[[8-[[4-[[2-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methoxy]phenyl]methylamino]octylamino]methyl]phenoxy]methyl]benzamide
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| Structure |
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| Formula |
C58H62N8O4
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| Molecular Weight |
935.186
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| Canonical SMILES |
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
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| InChI |
InChI=1S/C58H62N8O4/c1-39-31-53(59)51-33-45(21-27-55(51)63-39)65-57(67)49-15-9-7-13-43(49)37-69-47-23-17-41(18-24-47)35-61-29-11-5-3-4-6-12-30-62-36-42-19-25-48(26-20-42)70-38-44-14-8-10-16-50(44)58(68)66-46-22-28-56-52(34-46)54(60)32-40(2)64-56/h7-10,13-28,31-34,61-62H,3-6,11-12,29-30,35-38H2,1-2H3,(H2,59,63)(H2,60,64)(H,65,67)(H,66,68)
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| InChIKey |
NWUJWSHBIFWUOO-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