| General Property |
| Molceule ID (DB) | EGIN0003266 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 20 compound |
| IUPAC Name | 4-{6-[(3S)-3-ethylpiperazin-1-yl]pyridin-3-yl}-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine |
| Formula | C24H30N6O3 |
| Mass | 450.5334 |
| Exact Mass | 450.2379389 |
| Composition | C (63.98%), H (6.71%), N (18.65%), O (10.65%) |
| Atom Count | 63 |
| PI | 10.99 |
| Smiles | c1(nc(c2cnc(N3C[C@@H](NCC3)CC)cc2)ccn1)Nc1cc(c(c(c1)OC)OC)OC |
| InChI | InChI=1S/C24H30N6O3/c1-5-17-15-30(11-10-25-17)22-7-6-16(14-27-22)19-8-9-26-24(29-19)28-18-12-20(31-2
)23(33-4)21(13-18)32-3/h6-9,12-14,17,25H,5,10-11,15H2,1-4H3,(H,26,28,29)/t17-/m0/s1 |
| InChIKey | InChIKey=YTOUFEQLXOWLSL-KRWDZBQOSA-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 |
20579089
|
| Drug Bank Link | - |
| ChemSpider Link | 19207393 |
| ChEMBL Link | CHEMBL112346 |
