General Information of the Compound
| Compound ID |
CP0460590
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| Compound Name |
N-(4-amino-2-methylquinolin-6-yl)-2-[[4-[[3-[[4-[[2-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methoxy]phenyl]methylamino]propylamino]methyl]phenoxy]methyl]benzamide
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| Structure |
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| Formula |
C53H52N8O4
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| Molecular Weight |
865.051
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| Canonical SMILES |
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
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| InChI |
InChI=1S/C53H52N8O4/c1-34-26-48(54)46-28-40(16-22-50(46)58-34)60-52(62)44-10-5-3-8-38(44)32-64-42-18-12-36(13-19-42)30-56-24-7-25-57-31-37-14-20-43(21-15-37)65-33-39-9-4-6-11-45(39)53(63)61-41-17-23-51-47(29-41)49(55)27-35(2)59-51/h3-6,8-23,26-29,56-57H,7,24-25,30-33H2,1-2H3,(H2,54,58)(H2,55,59)(H,60,62)(H,61,63)
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| InChIKey |
XEVXVYOJSWUNBQ-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