| General Property |
| Molceule ID (DB) | EGIN0004634 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 11b |
| IUPAC Name | 4-({5,13-diamino-11-[(2-hydroxyethyl)amino]-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 | C17H18N8O3S2 |
| Mass | 446.507 |
| Exact Mass | 446.0943279 |
| Composition | C (45.73%), H (4.06%), N (25.1%), O (10.75%), S (14.36%) |
| Atom Count | 48 |
| PI | 7.3 |
| Smiles | c1(nc(nc2c1c1csc(c1c(n2)Nc1ccc(cc1)S(=O)(=O)N)N)NCCO)N |
| InChI | 1S/C17H18N8O3S2/c18-13-11-10-7-29-14(19)12(10)16(24-15(11)25-17(23-13)21-5-6-26)22-8-1-3-9(4-2-8)30(
20,27)28/h1-4,7,26H,5-6,19H2,(H2,20,27,28)(H4,18,21,22,23,24,25) |
| InChIKey | IKPTXEDXWVBDEI-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 |
57392009
|
| Drug Bank Link | - |
| ChemSpider Link | 28486253 |
| ChEMBL Link | CHEMBL1910279 |
