General Information of the Compound
| Compound ID |
CP0409213
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]pyridine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19N5O
|
||||||||||||||||||
| Molecular Weight |
345.406
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(C)c2cc(C#N)c(NCCNC(=O)c3cccnc3)nc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19N5O/c1-13-8-14(2)17-10-16(11-21)19(25-18(17)9-13)23-6-7-24-20(26)15-4-3-5-22-12-15/h3-5,8-10,12H,6-7H2,1-2H3,(H,23,25)(H,24,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RUXAWWDGRQWQHO-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