General Information of the Compound
| Compound ID |
CP0431425
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[4-(benzenesulfonamido)-3-fluoroanilino]-7-methoxyquinazolin-6-yl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H22FN5O4S
|
||||||||||||||||||
| Molecular Weight |
495.536
|
||||||||||||||||||
| Canonical SMILES |
CCC(=O)Nc1cc2c(Nc3ccc(NS(=O)(=O)c4ccccc4)c(F)c3)ncnc2cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H22FN5O4S/c1-3-23(31)29-21-12-17-20(13-22(21)34-2)26-14-27-24(17)28-15-9-10-19(18(25)11-15)30-35(32,33)16-7-5-4-6-8-16/h4-14,30H,3H2,1-2H3,(H,29,31)(H,26,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZCNCSRRXBRIFQF-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: PT00922, Epidermal growth factor receptor
Protein ID: PT01159, Receptor tyrosine-protein kinase erbB-4