| General Property |
| Molceule ID (DB) | EGIN0004642 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 10c |
| IUPAC Name | 4-({4-amino-6-cyano-2-[(2-hydroxyethyl)amino]pyrido[2,3-d]pyrimidin-7-yl}amino)benzene-1-sulfonamide |
| Formula | C16H16N8O3S |
| Mass | 400.415 |
| Exact Mass | 400.1066071 |
| Composition | C (47.99%), H (4.03%), N (27.98%), O (11.99%), S (8.01%) |
| Atom Count | 44 |
| PI | 7.34 |
| Smiles | c1(nc(nc2c1cc(c(n2)Nc1ccc(cc1)S(=O)(=O)N)C#N)NCCO)N |
| InChI | 1S/C16H16N8O3S/c17-8-9-7-12-13(18)22-16(20-5-6-25)24-15(12)23-14(9)21-10-1-3-11(4-2-10)28(19,26)27/h
1-4,7,25H,5-6H2,(H2,19,26,27)(H4,18,20,21,22,23,24) |
| InChIKey | UCSTUUDXWZTBLH-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 |
57397293
|
| Drug Bank Link | - |
| ChemSpider Link | 28485415 |
| ChEMBL Link | CHEMBL1910276 |
