| General Property |
| Molceule ID (DB) | EGIN0002604 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 6b compound |
| IUPAC Name | 3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[3-(4-methylpiperazin-1-yl)propyl]amino}pyrido[2,3-d]pyrimidin-7-yl]urea |
| Formula | C26H34Cl2N8O |
| Mass | 545.507 |
| Exact Mass | 544.2232632 |
| Composition | C (57.25%), H (6.28%), Cl (13%), N (20.54%), O (2.93%) |
| Atom Count | 71 |
| PI | 9.96 |
| Smiles | c1(c(c2c(Cl)cccc2Cl)cc2c(n1)nc(nc2)NCCCN1CCN(CC1)C)NC(=O)NC(C)(C)C |
| InChI | 1S/C26H34Cl2N8O/c1-26(2,3)34-25(37)33-23-18(21-19(27)7-5-8-20(21)28)15-17-16-30-24(32-22(17)31-23)29
-9-6-10-36-13-11-35(4)12-14-36/h5,7-8,15-16H,6,9-14H2,1-4H3,(H3,29,30,31,32,33,34,37) |
| InChIKey | PAZDFSJAERQBCY-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 | 9240345 | 11384237 | |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | CDK4 | IR | PKC | c-Src | PDGFr | FGFr | MEK/ERK | ALL |
| Pub Chem Link |
5328149
|
| Drug Bank Link | - |
| ChemSpider Link | 4485316 |
| ChEMBL Link | CHEMBL57347 |
