| General Property |
| Molceule ID (DB) | EGIN0000039 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 28 compound |
| IUPAC Name | (2S)-2-[({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)(methyl)amino]-3-hydroxypropanamide |
| Formula | C20H21ClFN5O3 |
| Mass | 433.864 |
| Exact Mass | 433.1316955 |
| Composition | C (55.37%), H (4.88%), Cl (8.17%), F (4.38%), N (16.14%), O (11.06%) |
| Atom Count | 51 |
| PI | 9.67 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1cccc(c1F)Cl)OC)CN([C@@H](CO)C(=O)N)C |
| InChI | 1S/C20H21ClFN5O3/c1-27(16(9-28)19(23)29)8-11-6-12-15(7-17(11)30-2)24-10-25-20(12)26-14-5-3-4-13(21)1
8(14)22/h3-7,10,16,28H,8-9H2,1-2H3,(H2,23,29)(H,24,25,26)/t16-/m0/s1 |
| InChIKey | PFMSFEQGLHGUNF-INIZCTEOSA-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 | 16516473 |
| 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 |
11373886
|
| Drug Bank Link | - |
| ChemSpider Link | 9548803 |
| ChEMBL Link | CHEMBL208286 |
