| General Property |
| Molceule ID (DB) | EGIN0004636 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 11a |
| IUPAC Name | 2-({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)ethan-1-ol |
| Formula | C13H17N7O2S |
| Mass | 335.385 |
| Exact Mass | 335.1164435 |
| Composition | C (46.56%), H (5.11%), N (29.23%), O (9.54%), S (9.56%) |
| Atom Count | 40 |
| PI | 9.05 |
| Smiles | c1(nc(nc2c1c1csc(c1c(n2)NCCO)N)NCCO)N |
| InChI | 1S/C13H17N7O2S/c14-9-7-6-5-23-10(15)8(6)11(16-1-3-21)19-12(7)20-13(18-9)17-2-4-22/h5,21-22H,1-4,15H2
,(H4,14,16,17,18,19,20) |
| InChIKey | MZMAYWNWHCZWNL-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 |
56649610
|
| Drug Bank Link | - |
| ChemSpider Link | 28486252 |
| ChEMBL Link | CHEMBL1910278 |
