| General Property |
| Molceule ID (DB) | EGIN0004210 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 3i compound |
| IUPAC Name | 2-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin-7-yl}(2-hydroxyethyl)amino)ethan-1-ol |
| Formula | C17H18BrN5O2 |
| Mass | 404.261 |
| Exact Mass | 403.0643875 |
| Composition | C (50.51%), H (4.49%), Br (19.77%), N (17.32%), O (7.92%) |
| Atom Count | 43 |
| PI | 9.91 |
| Smiles | n1cnc(c2c1cc(nc2)N(CCO)CCO)Nc1cc(ccc1)Br |
| InChI | 1S/C17H18BrN5O2/c18-12-2-1-3-13(8-12)22-17-14-10-19-16(9-15(14)20-11-21-17)23(4-6-24)5-7-25/h1-3,8-1
1,24-25H,4-7H2,(H,20,21,22) |
| InChIKey | LYENTQSFLVZYRJ-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 | 9397172 |
| 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 | 4485468 |
| ChEMBL Link | CHEMBL128759 |
