| General Property |
| Molceule ID (DB) | EGIN0001524 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 5h compound |
| IUPAC Name | (2R)-4-{4-[(3-chloro-4-fluorophenyl)amino]quinazolin-6-yl}but-3-yn-2-ol |
| Formula | C18H13ClFN3O |
| Mass | 341.767 |
| Exact Mass | 341.073118 |
| Composition | C (63.26%), H (3.83%), Cl (10.37%), F (5.56%), N (12.29%), O (4.68%) |
| Atom Count | 37 |
| PI | 8.96 |
| Smiles | c12c(ccc(c1)C#C[C@H](O)C)ncnc2Nc1ccc(c(c1)Cl)F |
| InChI | 1S/C18H13ClFN3O/c1-11(24)2-3-12-4-7-17-14(8-12)18(22-10-21-17)23-13-5-6-16(20)15(19)9-13/h4-11,24H,1
H3,(H,21,22,23)/t11-/m1/s1 |
| InChIKey | HGYWASHVHJLXJJ-LLVKDONJSA-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 | 17889528 |
| 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 |
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| Drug Bank Link | - |
| ChemSpider Link | 23306723 |
| ChEMBL Link | CHEMBL399928 |
