| General Property |
| Molceule ID (DB) | EGIN0003176 |
| Inhibitor Class | Diamino-pyridine |
| Molecule Name in Refrence Article | 2r compound |
| IUPAC Name | 4-({6-amino-5-[(2,6-difluorophenyl)carbonyl]pyridin-2-yl}amino)benzene-1-sulfonamide |
| Formula | C18H14F2N4O3S |
| Mass | 404.391 |
| Exact Mass | 404.0754674 |
| Composition | C (53.46%), H (3.49%), F (9.4%), N (13.85%), O (11.87%), S (7.93%) |
| Atom Count | 42 |
| PI | 8.35 |
| Smiles | S(=O)(=O)(c1ccc(Nc2nc(c(C(=O)c3c(F)cccc3F)cc2)N)cc1)N |
| InChI | 1S/C18H14F2N4O3S/c19-13-2-1-3-14(20)16(13)17(25)12-8-9-15(24-18(12)21)23-10-4-6-11(7-5-10)28(22,26)2
7/h1-9H,(H3,21,23,24)(H2,22,26,27) |
| InChIKey | CCHCEDJEDOOBOI-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 | HCT116 | CDK2 | CDK1 | ALL |
| Pub Chem Link |
5330832
|
| Drug Bank Link | - |
| ChemSpider Link | 4487983 |
| ChEMBL Link | CHEMBL193643 |
