General Information of the Compound
| Compound ID |
CP0522853
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-methoxy-4-methyl-N-(4-(thiophen-3-ylmethylamino)butyl)quinolin-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H25N3OS
|
||||||||||||||||||
| Molecular Weight |
355.507
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2nc(NCCCCNCc3ccsc3)cc(C)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H25N3OS/c1-15-11-20(23-19-6-5-17(24-2)12-18(15)19)22-9-4-3-8-21-13-16-7-10-25-14-16/h5-7,10-12,14,21H,3-4,8-9,13H2,1-2H3,(H,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UBLPMASNMRLCGE-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