| General Property |
| Molceule ID (DB) | EGIN0003265 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 11 compound |
| IUPAC Name | 4-[6-(piperazin-1-yl)pyridin-3-yl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine |
| Formula | C22H26N6O3 |
| Mass | 422.4802 |
| Exact Mass | 422.2066387 |
| Composition | C (62.54%), H (6.2%), N (19.89%), O (11.36%) |
| Atom Count | 57 |
| PI | 10.89 |
| Smiles | c1(nc(c2cnc(N3CCNCC3)cc2)ccn1)Nc1cc(c(c(c1)OC)OC)OC |
| InChI | 1S/C22H26N6O3/c1-29-18-12-16(13-19(30-2)21(18)31-3)26-22-24-7-6-17(27-22)15-4-5-20(25-14-15)28-10-8-
23-9-11-28/h4-7,12-14,23H,8-11H2,1-3H3,(H,24,26,27) |
| InChIKey | NQXBCUWKAWQTMT-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 | 10612598 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | csk | p56Lck | PKC | ZAP70 | ALL |
| Pub Chem Link |
9888491
|
| Drug Bank Link | - |
| ChemSpider Link | 8064163 |
| ChEMBL Link | CHEMBL322066 |
