| General Property |
| Molceule ID (DB) | EGIN0000302 |
| Inhibitor Class | Anilino-pyrido-pyrimidine |
| Molecule Name in Refrence Article | 28 compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}prop-2-ynamide |
| Formula | C16H10BrN5O |
| Mass | 368.188 |
| Exact Mass | 367.0068726 |
| Composition | C (52.19%), H (2.74%), Br (21.7%), N (19.02%), O (4.35%) |
| Atom Count | 33 |
| PI | 7.99 |
| Smiles | c12c(cnc(c1)NC(=O)C#C)ncnc2Nc1cc(ccc1)Br |
| InChI | 1S/C16H10BrN5O/c1-2-15(23)22-14-7-12-13(8-18-14)19-9-20-16(12)21-11-5-3-4-10(17)6-11/h1,3-9H,(H,18,2
2,23)(H,19,20,21) |
| InChIKey | OMYOVWAUIIJSPG-UHFFFAOYSA-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 | 16480284 |
| 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 |
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| Drug Bank Link | - |
| ChemSpider Link | 13231105 |
| ChEMBL Link | CHEMBL378144 |
