| General Property |
| Molceule ID (DB) | EGIN0000917 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 28 compound |
| IUPAC Name | (2E)-N-{4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-N'-[3-(morpholin-4-yl)propyl]but-2-enediamide |
| Formula | C24H26BrN7O3 |
| Mass | 540.412 |
| Exact Mass | 539.1280504 |
| Composition | C (53.34%), H (4.85%), Br (14.79%), N (18.14%), O (8.88%) |
| Atom Count | 61 |
| PI | 9.57 |
| Smiles | n1cnc2c(c1Nc1cccc(c1)Br)cc(nc2)NC(=O)/C=C/C(=O)NCCCN1CCOCC1 |
| InChI | 1S/C24H26BrN7O3/c25-17-3-1-4-18(13-17)30-24-19-14-21(27-15-20(19)28-16-29-24)31-23(34)6-5-22(33)26-7
-2-8-32-9-11-35-12-10-32/h1,3-6,13-16H,2,7-12H2,(H,26,33)(H,27,31,34)(H,28,29,30)/b6-5+ |
| InChIKey | JPHMUYSWHKPNKF-AATRIKPKSA-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 | 11462982 |
| 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 |
5329089
|
| Drug Bank Link | - |
| ChemSpider Link | 4486251 |
| ChEMBL Link | CHEMBL136058 |
