| General Property |
| Molceule ID (DB) | EGIN0004955 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 33b |
| IUPAC Name | N-(3-chlorophenyl)-6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-amine |
| Formula | C21H24ClN5O2 |
| Mass | 413.901 |
| Exact Mass | 413.1618527 |
| Composition | C (60.94%), H (5.84%), Cl (8.57%), N (16.92%), O (7.73%) |
| Atom Count | 53 |
| PI | 11.78 |
| Smiles | c12cc(c(cc1nc(nc2Nc1cc(ccc1)Cl)N1CCN(CC1)C)OC)OC |
| InChI | 1S/C21H24ClN5O2/c1-26-7-9-27(10-8-26)21-24-17-13-19(29-3)18(28-2)12-16(17)20(25-21)23-15-6-4-5-14(22
)11-15/h4-6,11-13H,7-10H2,1-3H3,(H,23,24,25) |
| InChIKey | APICIERXNBVOHG-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 |
5328831
|
| Drug Bank Link | - |
| ChemSpider Link | 4485993 |
| ChEMBL Link | - |
