| General Property |
| Molceule ID (DB) | EGIN0003171 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 18a compound |
| IUPAC Name | 3-[5-(3-amino-3-methylbut-1-yn-1-yl)-2-methoxyphenyl]-N-(2,4-difluorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine |
| Formula | C23H20F2N6O |
| Mass | 434.4413 |
| Exact Mass | 434.1666657 |
| Composition | C (63.59%), H (4.64%), F (8.75%), N (19.34%), O (3.68%) |
| Atom Count | 52 |
| PI | 9.84 |
| Smiles | n1c(ncc2c1n[nH]c2c1cc(ccc1OC)C#CC(N)(C)C)Nc1c(cc(cc1)F)F |
| InChI | 1S/C23H20F2N6O/c1-23(2,26)9-8-13-4-7-19(32-3)15(10-13)20-16-12-27-22(29-21(16)31-30-20)28-18-6-5-14(
24)11-17(18)25/h4-7,10-12H,26H2,1-3H3,(H2,27,28,29,30,31) |
| InChIKey | OAVQAUQHQJNYKR-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 | 16249085 |
| 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 |
11517688
|
| Drug Bank Link | - |
| ChemSpider Link | 9692476 |
| ChEMBL Link | CHEMBL370808 |
