General Property |
Molceule ID (DB) | EGIN0001049 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 10m compound |
IUPAC Name | N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(2-methoxyethoxy)but-2-ynamide |
Formula | C21H19BrN4O3 |
Mass | 455.305 |
Exact Mass | 454.0640531 |
Composition | C (55.4%), H (4.21%), Br (17.55%), N (12.31%), O (10.54%) |
Atom Count | 48 |
PI | 8.08 |
Smiles | c12c(ccc(c1)NC(=O)C#CCOCCOC)ncnc2Nc1cccc(c1)Br |
InChI | 1S/C21H19BrN4O3/c1-28-10-11-29-9-3-6-20(27)25-17-7-8-19-18(13-17)21(24-14-23-19)26-16-5-2-4-15(22)12
-16/h2,4-5,7-8,12-14H,9-11H2,1H3,(H,25,27)(H,23,24,26) |
InChIKey | WGYDIWMVEHEUEZ-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001049.png) | Structure Backbone | ![](./frame/f_EGIN0001049.png) |
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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 | 11495584 |
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 |
5328966
|
Drug Bank Link | - |
ChemSpider Link | 4486128 |
ChEMBL Link | CHEMBL327838 |