| General Property |
| Molceule ID (DB) | EGIN0003674 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 5s compound |
| IUPAC Name | 4-N-(3-bromophenyl)-6-N-(pyridin-3-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine |
| Formula | C19H15BrN6 |
| Mass | 407.267 |
| Exact Mass | 406.0541572 |
| Composition | C (56.03%), H (3.71%), Br (19.62%), N (20.64%) |
| Atom Count | 41 |
| PI | 10.13 |
| Smiles | c1(c2c(ncn1)cnc(c2)NCc1cnccc1)Nc1cc(Br)ccc1 |
| InChI | 1S/C19H15BrN6/c20-14-4-1-5-15(7-14)26-19-16-8-18(23-11-17(16)24-12-25-19)22-10-13-3-2-6-21-9-13/h1-9
,11-12H,10H2,(H,22,23)(H,24,25,26) |
| InChIKey | YXYVEDNSDFQKHH-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 | 4485530 |
| ChEMBL Link | CHEMBL165508 |
