General Property |
Molceule ID (DB) | EGIN0001037 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 10a compound |
IUPAC Name | N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-ynamide |
Formula | C20H18BrN5O |
Mass | 424.294 |
Exact Mass | 423.0694729 |
Composition | C (56.61%), H (4.28%), Br (18.83%), N (16.51%), O (3.77%) |
Atom Count | 45 |
PI | 9.89 |
Smiles | c12c(ccc(c1)NC(=O)C#CCN(C)C)ncnc2Nc1cccc(c1)Br |
InChI | 1S/C20H18BrN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3,
5-6,8-9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25) |
InChIKey | OTMPOVZNMVTURI-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001037.png) | Structure Backbone | ![](./frame/f_EGIN0001037.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 |
5328954
|
Drug Bank Link | - |
ChemSpider Link | 4486116 |
ChEMBL Link | CHEMBL329856 |