General Property |
Molceule ID (DB) | EGIN0005069 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 27 |
IUPAC Name | Nâ€{4â€[(3â€bromophenyl)amino]quinazolinâ€6â€yl}â€4â€chlorobenzamide |
Formula | C21H14BrClN4O |
Mass | 453.719 |
Exact Mass | 452.003951444 |
Composition | C (55.59%), H (3.11%), Br (17.61%), Cl (7.81%), N (12.35%), O (3.53%) |
Atom Count | 42 |
PI | 8.39 |
Smiles | [H]N(C(=O)C1=C([H])C([H])=C(Cl)C([H])=C1[H])C1=C([H])C([H])=C2N=C([H])N=C(N([H])C3=C([H])C([H])=C([H])C(Br)=C3[H])C2=C1[H] |
InChI | 1S/C21H14BrClN4O/c22-14-2-1-3-16(10-14)26-20-18-11-17(8-9-19(18)24-12-25-20)27-21(28)13-4-6-15(23)7-
5-13/h1-12H,(H,27,28)(H,24,25,26) |
InChIKey | AWYHTSHMPIFPGH-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0005069.png) | Structure Backbone | ![](./frame/f_EGIN0005069.png) |
|
View Structure in Jmol | Click to view 3 d structure Download Mol File |
Drug Like Property | Druglikeliness |
Symmetry & Geometry | Symmetry And Geometrical Information |
Activity & Binding | Activity against isoform and covalant binding information |
Topological Properties | Descriptors |
Reference | 23936329 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | No activity data against other kinases present in database |
Pub Chem Link |
-
|
Drug Bank Link | - |
ChemSpider Link | 29397961 |
ChEMBL Link | CHEMBL2316146 |