| General Property |
| Molceule ID (DB) | EGIN0003667 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 5l compound |
| IUPAC Name | 2-{[2-({4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}amino)ethyl](methyl)amino}ethan-1-ol |
| Formula | C18H21BrN6O |
| Mass | 417.303 |
| Exact Mass | 416.096022 |
| Composition | C (51.81%), H (5.07%), Br (19.15%), N (20.14%), O (3.83%) |
| Atom Count | 47 |
| PI | 11.67 |
| Smiles | c1(c2c(ncn1)cnc(c2)NCCN(CCO)C)Nc1cc(Br)ccc1 |
| InChI | 1S/C18H21BrN6O/c1-25(7-8-26)6-5-20-17-10-15-16(11-21-17)22-12-23-18(15)24-14-4-2-3-13(19)9-14/h2-4,9
-12,26H,5-8H2,1H3,(H,20,21)(H,22,23,24) |
| InChIKey | APZJVORBGFQNIQ-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 | 9513602 |
| 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 | 4485523 |
| ChEMBL Link | CHEMBL166255 |
