| General Property |
| Molceule ID (DB) | EGIN0003175 |
| Inhibitor Class | Diamino-pyridine |
| Molecule Name in Refrence Article | 2p compound |
| IUPAC Name | 4-({6-amino-5-[(2,6-difluorophenyl)carbonyl]pyridin-2-yl}amino)-N,N-dimethylbenzene-1-sulfonamide |
| Formula | C20H18F2N4O3S |
| Mass | 432.444 |
| Exact Mass | 432.1067676 |
| Composition | C (55.55%), H (4.2%), F (8.79%), N (12.96%), O (11.1%), S (7.41%) |
| Atom Count | 48 |
| PI | 10.43 |
| Smiles | S(=O)(=O)(c1ccc(Nc2nc(c(C(=O)c3c(F)cccc3F)cc2)N)cc1)N(C)C |
| InChI | 1S/C20H18F2N4O3S/c1-26(2)30(28,29)13-8-6-12(7-9-13)24-17-11-10-14(20(23)25-17)19(27)18-15(21)4-3-5-1
6(18)22/h3-11H,1-2H3,(H3,23,24,25) |
| InChIKey | WFBVMRMNIMMRCE-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 | HCT116 | VEGF | CDK2 | CDK1 | ALL |
| Pub Chem Link |
5330830
|
| Drug Bank Link | - |
| ChemSpider Link | 4487981 |
| ChEMBL Link | CHEMBL193456 |
