General Information of the Compound
| Compound ID |
CP0682225
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Methoxy-N-methyl-N-(4-(6-(pyridin-4-yl)quinazolin-2-ylamino)phenyl)propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H23N5O2
|
||||||||||||||||||
| Molecular Weight |
413.481
|
||||||||||||||||||
| Canonical SMILES |
COCCC(=O)N(C)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23N5O2/c1-29(23(30)11-14-31-2)21-6-4-20(5-7-21)27-24-26-16-19-15-18(3-8-22(19)28-24)17-9-12-25-13-10-17/h3-10,12-13,15-16H,11,14H2,1-2H3,(H,26,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MFQLVAIMTGXBSE-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