General Information of the Compound
| Compound ID |
CP0464763
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[[4-[(10-aminodecylamino)methyl]phenoxy]methyl]-N-(4-amino-2-methylquinolin-6-yl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H45N5O2
|
||||||||||||||||||
| Molecular Weight |
567.778
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCCCN)cc3)ccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H45N5O2/c1-26-22-33(37)32-23-29(16-19-34(32)39-26)40-35(41)31-13-9-8-12-28(31)25-42-30-17-14-27(15-18-30)24-38-21-11-7-5-3-2-4-6-10-20-36/h8-9,12-19,22-23,38H,2-7,10-11,20-21,24-25,36H2,1H3,(H2,37,39)(H,40,41)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AAEIJYARJYLTIS-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