| General Property |
| Molceule ID (DB) | EGIN0004941 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 20a |
| IUPAC Name | 3-[(6-methylquinazolin-4-yl)amino]benzoic acid |
| Formula | C16H13N3O2 |
| Mass | 279.2933 |
| Exact Mass | 279.1007767 |
| Composition | C (68.81%), H (4.69%), N (15.05%), O (11.46%) |
| Atom Count | 34 |
| PI | 4.39 |
| Smiles | c12cc(ccc1ncnc2Nc1cc(ccc1)C(=O)O)C |
| InChI | 1S/C16H13N3O2/c1-10-5-6-14-13(7-10)15(18-9-17-14)19-12-4-2-3-11(8-12)16(20)21/h2-9H,1H3,(H,20,21)(H,
17,18,19) |
| InChIKey | GCEMMLDIYZUPDK-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 | 8879541 |
| 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 |
735129
|
| Drug Bank Link | - |
| ChemSpider Link | 642323 |
| ChEMBL Link | CHEMBL1740070 |
