General Information of the Compound
| Compound ID |
CP0460591
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(4-amino-2-methylquinolin-6-yl)-2-[[4-[[6-[[4-[[2-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methoxy]phenyl]methylamino]hexylamino]methyl]phenoxy]methyl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C56H58N8O4
|
||||||||||||||||||
| Molecular Weight |
907.132
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C56H58N8O4/c1-37-29-51(57)49-31-43(19-25-53(49)61-37)63-55(65)47-13-7-5-11-41(47)35-67-45-21-15-39(16-22-45)33-59-27-9-3-4-10-28-60-34-40-17-23-46(24-18-40)68-36-42-12-6-8-14-48(42)56(66)64-44-20-26-54-50(32-44)52(58)30-38(2)62-54/h5-8,11-26,29-32,59-60H,3-4,9-10,27-28,33-36H2,1-2H3,(H2,57,61)(H2,58,62)(H,63,65)(H,64,66)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ULOXBNCQVHNADK-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
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