General Information of the Compound
| Compound ID |
CP0473197
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| Compound Name |
N-(4-amino-2-methylquinolin-6-yl)-2-[[4-[[7-[[4-[[2-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methoxy]phenyl]methylamino]heptylamino]methyl]phenoxy]methyl]benzamide
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| Structure |
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| Formula |
C57H60N8O4
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| Molecular Weight |
921.159
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| Canonical SMILES |
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
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| InChI |
InChI=1S/C57H60N8O4/c1-38-30-52(58)50-32-44(20-26-54(50)62-38)64-56(66)48-14-8-6-12-42(48)36-68-46-22-16-40(17-23-46)34-60-28-10-4-3-5-11-29-61-35-41-18-24-47(25-19-41)69-37-43-13-7-9-15-49(43)57(67)65-45-21-27-55-51(33-45)53(59)31-39(2)63-55/h6-9,12-27,30-33,60-61H,3-5,10-11,28-29,34-37H2,1-2H3,(H2,58,62)(H2,59,63)(H,64,66)(H,65,67)
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| InChIKey |
IXVSFBFLNKKGJQ-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