| General Property |
| Molceule ID (DB) | EGIN0001046 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 10j compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]but-2-ynamide |
| Formula | C24H24BrN5O2 |
| Mass | 494.384 |
| Exact Mass | 493.1113377 |
| Composition | C (58.31%), H (4.89%), Br (16.16%), N (14.17%), O (6.47%) |
| Atom Count | 56 |
| PI | 9.92 |
| Smiles | c12c(ccc(c1)NC(=O)C#CCN1[C@H](CCC1)COC)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C24H24BrN5O2/c1-32-15-20-7-3-11-30(20)12-4-8-23(31)28-19-9-10-22-21(14-19)24(27-16-26-22)29-18-6-
2-5-17(25)13-18/h2,5-6,9-10,13-14,16,20H,3,7,11-12,15H2,1H3,(H,28,31)(H,26,27,29)/t20-/m1/s1 |
| InChIKey | RLNZIWVIDMGNEN-HXUWFJFHSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| 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 |
44631420
|
| Drug Bank Link | - |
| ChemSpider Link | 4486125 23180678 |
| ChEMBL Link | CHEMBL93784 |
