| General Property |
| Molceule ID (DB) | EGIN0004478 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 5a |
| IUPAC Name | 2-({5,13-diamino-4-thia-8,10,12-triazatricyclo[7.4.0.0^{2,6}]trideca-1(13),2,5,7,9,11-hexaen-7-yl}amino)ethan-1-ol |
| Formula | C11H12N6OS |
| Mass | 276.318 |
| Exact Mass | 276.0793297 |
| Composition | C (47.81%), H (4.38%), N (30.41%), O (5.79%), S (11.6%) |
| Atom Count | 31 |
| PI | 8.79 |
| Smiles | c1(ncnc2c1c1csc(c1c(n2)NCCO)N)N |
| InChI | 1S/C11H12N6OS/c12-8-6-5-3-19-9(13)7(5)11(14-1-2-18)17-10(6)16-4-15-8/h3-4,18H,1-2,13H2,(H3,12,14,15,
16,17) |
| InChIKey | FZZWYTXTWFAEGS-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 |
56935464
|
| Drug Bank Link | - |
| ChemSpider Link | 28486008 |
| ChEMBL Link | CHEMBL1910272 |
