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 | ![](./image/EGIN0004941.png) | Structure Backbone | ![](./frame/f_EGIN0004941.png) |
|
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 |