General Information of the Compound
| Compound ID |
CP0460589
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(4-amino-2-methylquinolin-6-yl)-2-[[4-[(pentylamino)methyl]phenoxy]methyl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H34N4O2
|
||||||||||||||||||
| Molecular Weight |
482.628
|
||||||||||||||||||
| Canonical SMILES |
CCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H34N4O2/c1-3-4-7-16-32-19-22-10-13-25(14-11-22)36-20-23-8-5-6-9-26(23)30(35)34-24-12-15-29-27(18-24)28(31)17-21(2)33-29/h5-6,8-15,17-18,32H,3-4,7,16,19-20H2,1-2H3,(H2,31,33)(H,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CATICBJPMVXFEO-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