General Information of the Compound
| Compound ID |
CP0525005
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20N4O
|
||||||||||||||||||
| Molecular Weight |
344.418
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(C)c2cc(C#N)c(NCCNC(=O)c3ccccc3)nc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20N4O/c1-14-10-15(2)18-12-17(13-22)20(25-19(18)11-14)23-8-9-24-21(26)16-6-4-3-5-7-16/h3-7,10-12H,8-9H2,1-2H3,(H,23,25)(H,24,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KSGJIDGCGBRSGU-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