| General Property |
| Molceule ID (DB) | EGIN0004640 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 10d |
| IUPAC Name | 4-({4-amino-6-cyano-2-[(2-hydroxyethyl)amino]-5-methylpyrido[2,3-d]pyrimidin-7-yl}amino)benzene-1-sulfonamide |
| Formula | C17H18N8O3S |
| Mass | 414.442 |
| Exact Mass | 414.1222572 |
| Composition | C (49.27%), H (4.38%), N (27.04%), O (11.58%), S (7.74%) |
| Atom Count | 47 |
| PI | 7.2 |
| Smiles | c1(nc(nc2c1c(c(c(n2)Nc1ccc(cc1)S(=O)(=O)N)C#N)C)NCCO)N |
| InChI | 1S/C17H18N8O3S/c1-9-12(8-18)15(22-10-2-4-11(5-3-10)29(20,27)28)24-16-13(9)14(19)23-17(25-16)21-6-7-2
6/h2-5,26H,6-7H2,1H3,(H2,20,27,28)(H4,19,21,22,23,24,25) |
| InChIKey | PDHVGMJKLGBPKG-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 |
57392008
|
| Drug Bank Link | - |
| ChemSpider Link | 28486251 |
| ChEMBL Link | CHEMBL1910277 |
