General Information of the Compound
| Compound ID |
CP0364431
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(2-ethylbutylamino)-6-(6-methylpyridin-3-yl)quinoline-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H26N4O
|
||||||||||||||||||
| Molecular Weight |
362.477
|
||||||||||||||||||
| Canonical SMILES |
CCC(CC)CNc1c(cnc2ccc(cc12)-c1ccc(C)nc1)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H26N4O/c1-4-15(5-2)11-26-21-18-10-16(17-7-6-14(3)24-12-17)8-9-20(18)25-13-19(21)22(23)27/h6-10,12-13,15H,4-5,11H2,1-3H3,(H2,23,27)(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GISUXDZKZZWMHN-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: PT01902, Serine-protein kinase ATM
Protein ID: PT01934, Serine/threonine-protein kinase ATR