| General Property |
| Molceule ID (DB) | EGIN0002510 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 6c compound |
| IUPAC Name | (2E)-3-{3-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)quinazolin-6-yl]phenyl}-N-hydroxyprop-2-enamide |
| Formula | C30H22ClFN4O3 |
| Mass | 540.972 |
| Exact Mass | 540.1364465 |
| Composition | C (66.61%), H (4.1%), Cl (6.55%), F (3.51%), N (10.36%), O (8.87%) |
| Atom Count | 61 |
| PI | 6.74 |
| Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)c1cccc(c1)/C=C/C(=O)NO |
| InChI | 1S/C30H22ClFN4O3/c31-26-16-24(9-11-28(26)39-17-20-4-2-6-23(32)14-20)35-30-25-15-22(8-10-27(25)33-18-
34-30)21-5-1-3-19(13-21)7-12-29(37)36-38/h1-16,18,38H,17H2,(H,36,37)(H,33,34,35)/b12-7+ |
| InChIKey | HRIQVCCRXNQUAH-KPKJPENVSA-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 | 21080629 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | PKA | PDGFR beta | InsR | Abl1 | PlK1 | CDK2 | ALL |
| Pub Chem Link |
42596953
|
| Drug Bank Link | - |
| ChemSpider Link | 26376659 |
| ChEMBL Link | CHEMBL1630109 |
