| General Property |
| Molceule ID (DB) | EGIN0003177 |
| Inhibitor Class | Diamino-pyridine |
| Molecule Name in Refrence Article | 11 compound |
| IUPAC Name | 4-({6-amino-5-[(4-butoxy-2,6-difluorophenyl)carbonyl]pyridin-2-yl}amino)benzene-1-sulfonamide |
| Formula | C22H22F2N4O4S |
| Mass | 476.496 |
| Exact Mass | 476.1329823 |
| Composition | C (55.45%), H (4.65%), F (7.97%), N (11.76%), O (13.43%), S (6.73%) |
| Atom Count | 55 |
| PI | 8.35 |
| Smiles | S(=O)(=O)(c1ccc(Nc2nc(c(C(=O)c3c(cc(cc3F)OCCCC)F)cc2)N)cc1)N |
| InChI | 1S/C22H22F2N4O4S/c1-2-3-10-32-14-11-17(23)20(18(24)12-14)21(29)16-8-9-19(28-22(16)25)27-13-4-6-15(7-
5-13)33(26,30)31/h4-9,11-12H,2-3,10H2,1H3,(H3,25,27,28)(H2,26,30,31) |
| InChIKey | XTYZJFNUJQAJGM-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 | 15837297 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | VEGF | CDK1 | HCT116 | CDK2 | ALL |
| Pub Chem Link |
44402267
|
| Drug Bank Link | - |
| ChemSpider Link | 23260474 |
| ChEMBL Link | CHEMBL196508 |
