| General Property |
| Molceule ID (DB) | EGIN0004473 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 5b |
| IUPAC Name | 4-({5,13-diamino-4-thia-8,10,12-triazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2,5,7,10,12-hexaen-7-yl}amino)benzene-1-sulfonamide |
| Formula | C15H13N7O2S2 |
| Mass | 387.439 |
| Exact Mass | 387.0572141 |
| Composition | C (46.5%), H (3.38%), N (25.31%), O (8.26%), S (16.55%) |
| Atom Count | 39 |
| PI | 6.38 |
| Smiles | c1(ncnc2c1c1csc(c1c(n2)Nc1ccc(cc1)S(=O)(=O)N)N)N |
| InChI | 1S/C15H13N7O2S2/c16-12-10-9-5-25-13(17)11(9)15(22-14(10)20-6-19-12)21-7-1-3-8(4-2-7)26(18,23)24/h1-6
H,17H2,(H2,18,23,24)(H3,16,19,20,21,22) |
| InChIKey | XSWRBSAYEHXHNA-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 | 22000924 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | CDK4/D | CDK2/A | ALL |
| Pub Chem Link |
57402469
|
| Drug Bank Link | - |
| ChemSpider Link | 28486009 |
| ChEMBL Link | CHEMBL1910273 |
