| General Property |
| Molceule ID (DB) | EGIN0003676 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 5u compound |
| IUPAC Name | 4-N-(3-bromophenyl)-6-N-[2-(1H-imidazol-4-yl)ethyl]pyrido[3,4-d]pyrimidine-4,6-diamine |
| Formula | C18H16BrN7 |
| Mass | 410.271 |
| Exact Mass | 409.0650562 |
| Composition | C (52.7%), H (3.93%), Br (19.48%), N (23.9%) |
| Atom Count | 42 |
| PI | 10.5 |
| Smiles | c1(c2c(ncn1)cnc(c2)NCCc1nc[nH]c1)Nc1cc(Br)ccc1 |
| InChI | 1S/C18H16BrN7/c19-12-2-1-3-13(6-12)26-18-15-7-17(22-9-16(15)24-11-25-18)21-5-4-14-8-20-10-23-14/h1-3
,6-11H,4-5H2,(H,20,23)(H,21,22)(H,24,25,26) |
| InChIKey | JKSUBOCXWXIPAH-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 | 4485532 |
| ChEMBL Link | CHEMBL162142 |
