| General Property |
| Molceule ID (DB) | EGIN0002038 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 28 compound |
| IUPAC Name | 4-N-(5-chloro-2H-1,3-benzodioxol-4-yl)-2-N-(3-methanesulfonylphenyl)pyrimidine-2,4-diamine |
| Formula | C18H15ClN4O4S |
| Mass | 418.854 |
| Exact Mass | 418.0502534 |
| Composition | C (51.62%), H (3.61%), Cl (8.46%), N (13.38%), O (15.28%), S (7.66%) |
| Atom Count | 43 |
| PI | 8.64 |
| Smiles | N(c1nccc(Nc2c3OCOc3ccc2Cl)n1)c1cccc(S(=O)(=O)C)c1 |
| InChI | 1S/C18H15ClN4O4S/c1-28(24,25)12-4-2-3-11(9-12)21-18-20-8-7-15(23-18)22-16-13(19)5-6-14-17(16)27-10-2
6-14/h2-9H,10H2,1H3,(H2,20,21,22,23) |
| InChIKey | QTFCKBFCXDAZIU-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 | 18434142 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | Src | CHK1 | FGF | IGF | JNK | KDR | PKA | PLK | ZAP70 | CSK | CDK2 | FAK | JAK3 | p38 | EphB2 | EphB4 | ALL |
| Pub Chem Link |
25011729
|
| Drug Bank Link | DB07253 |
| ChemSpider Link | 23315020 |
| ChEMBL Link | CHEMBL445162 |
