| General Property |
| Molceule ID (DB) | EGIN0000373 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 1m compound |
| IUPAC Name | (2R)-2-[(4-hydroxy-8-nitroquinazolin-5-yl)amino]-4-(methylsulfanyl)butanoic acid |
| Formula | C13H14N4O5S |
| Mass | 338.339 |
| Exact Mass | 338.0684903 |
| Composition | C (46.15%), H (4.17%), N (16.56%), O (23.64%), S (9.48%) |
| Atom Count | 37 |
| PI | 1.56 |
| Smiles | c12c(c(ccc1N[C@H](CCSC)C(=O)O)N(=O)=O)ncnc2O |
| InChI | 1S/C13H14N4O5S/c1-23-5-4-8(13(19)20)16-7-2-3-9(17(21)22)11-10(7)12(18)15-6-14-11/h2-3,6,8,16H,4-5H2,
1H3,(H,19,20)(H,14,15,18)/t8-/m1/s1 |
| InChIKey | IBFPYDXFDQSERV-MRVPVSSYSA-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 | 15993078 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
-
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
