| General Property |
| Molceule ID (DB) | EGIN0003264 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 10 compound |
| IUPAC Name | 4-{6-[(2-aminoethyl)amino]pyridin-3-yl}-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine |
| Formula | C20H24N6O3 |
| Mass | 396.443 |
| Exact Mass | 396.1909887 |
| Composition | C (60.59%), H (6.1%), N (21.2%), O (12.11%) |
| Atom Count | 53 |
| PI | 11.31 |
| Smiles | c1(nc(c2cnc(NCCN)cc2)ccn1)Nc1cc(c(c(c1)OC)OC)OC |
| InChI | InChI=1S/C20H24N6O3/c1-27-16-10-14(11-17(28-2)19(16)29-3)25-20-23-8-6-15(26-20)13-4-5-18(24-12-13)22
-9-7-21/h4-6,8,10-12H,7,9,21H2,1-3H3,(H,22,24)(H,23,25,26) |
| InChIKey | InChIKey=QNULKTUETCUJKC-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 |
15550318
|
| Drug Bank Link | - |
| ChemSpider Link | 13602330 |
| ChEMBL Link | CHEMBL113185 |
