General Information of the Compound
| Compound ID |
CP0438200
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| Compound Name |
N-(4-amino-2-methylquinolin-6-yl)-2-[[4-[[9-[[4-[[2-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methoxy]phenyl]methylamino]nonylamino]methyl]phenoxy]methyl]benzamide
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| Structure |
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| Formula |
C59H64N8O4
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| Molecular Weight |
949.213
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| Canonical SMILES |
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
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| InChI |
InChI=1S/C59H64N8O4/c1-40-32-54(60)52-34-46(22-28-56(52)64-40)66-58(68)50-16-10-8-14-44(50)38-70-48-24-18-42(19-25-48)36-62-30-12-6-4-3-5-7-13-31-63-37-43-20-26-49(27-21-43)71-39-45-15-9-11-17-51(45)59(69)67-47-23-29-57-53(35-47)55(61)33-41(2)65-57/h8-11,14-29,32-35,62-63H,3-7,12-13,30-31,36-39H2,1-2H3,(H2,60,64)(H2,61,65)(H,66,68)(H,67,69)
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| InChIKey |
SCUNMRIGGGAVIY-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