General Information of the Compound
| Compound ID |
CP0526233
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]-5-methoxypyridine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21N5O2
|
||||||||||||||||||
| Molecular Weight |
375.432
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(nc1)C(=O)NCCNc1nc2cc(C)cc(C)c2cc1C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21N5O2/c1-13-8-14(2)17-10-15(11-22)20(26-19(17)9-13)23-6-7-24-21(27)18-5-4-16(28-3)12-25-18/h4-5,8-10,12H,6-7H2,1-3H3,(H,23,26)(H,24,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DUGHXWXYQIZOED-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