| General Property |
| Molceule ID (DB) | EGIN0000375 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | B17 compound |
| IUPAC Name | (1S)-1-methoxy-3-(4-nitrophenyl)prop-2-yn-1-ol |
| Formula | C10H9NO4 |
| Mass | 207.1828 |
| Exact Mass | 207.0531578 |
| Composition | C (57.97%), H (4.38%), N (6.76%), O (30.89%) |
| Atom Count | 24 |
| PI | 3.23 |
| Smiles | c1cc(ccc1C#C[C@@H](O)OC)N(=O)=O |
| InChI | 1S/C10H9NO4/c1-15-10(12)7-4-8-2-5-9(6-3-8)11(13)14/h2-3,5-6,10,12H,1H3/t10-/m0/s1 |
| InChIKey | HIWXKVPIORJUPC-JTQLQIEISA-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 |
5354137
|
| Drug Bank Link | - |
| ChemSpider Link | 4510373 190452 9238767 |
| ChEMBL Link | CHEMBL1774696 |
