| General Property |
| Molceule ID (DB) | EGIN0000006 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | CANERTINIB |
| IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[3-(morpholin-4-yl)propoxy]quinazolin-6-yl}prop-2-enamide |
| Formula | C24H25ClFN5O3 |
| Mass | 485.938 |
| Exact Mass | 485.1629956 |
| Composition | C (59.32%), H (5.19%), Cl (7.3%), F (3.91%), N (14.41%), O (9.88%) |
| Atom Count | 59 |
| PI | 9.7 |
| Smiles | c12c(cc(c(c1)NC(=O)C=C)OCCCN1CCOCC1)ncnc2Nc1cc(c(cc1)F)Cl |
| InChI | 1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16
-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29) |
| InChIKey | OMZCMEYTWSXEPZ-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 | 11462982 | 12270171 | 15374980 | 16475937 | 16480284 | 18287036 | 18667312 | 15711537 | 21306821 | 22339342 | 22888144 | |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | ß-InsRK | HGFR | c-SRC | VEGFR-2 | Jak3 | Blk | Lkb1 | Bmx | Btk | Ltk | ALL |
| Pub Chem Link |
156414
|
| Drug Bank Link | - |
| ChemSpider Link | 137741 |
| ChEMBL Link | CHEMBL31965 |
