| General Property |
| Molceule ID (DB) | EGIN0000013 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 3 compound |
| IUPAC Name | N-(3-chloro-2-fluorophenyl)-7-methoxy-6-(pyrrolidin-1-ylmethyl)quinazolin-4-amine |
| Formula | C20H20ClFN4O |
| Mass | 386.85 |
| Exact Mass | 386.1309672 |
| Composition | C (62.09%), H (5.21%), Cl (9.16%), F (4.91%), N (14.48%), O (4.14%) |
| Atom Count | 47 |
| PI | 10.73 |
| Smiles | c12c(cc(c(c1)CN1CCCC1)OC)ncnc2Nc1cccc(c1F)Cl |
| InChI | 1S/C20H20ClFN4O/c1-27-18-10-17-14(9-13(18)11-26-7-2-3-8-26)20(24-12-23-17)25-16-6-4-5-15(21)19(16)22
/h4-6,9-10,12H,2-3,7-8,11H2,1H3,(H,23,24,25) |
| InChIKey | QAAOTANJKRXNSC-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 | 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 |
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| Drug Bank Link | - |
| ChemSpider Link | 23269919 |
| ChEMBL Link | CHEMBL437885 |
