| General Property |
| Molceule ID (DB) | EGIN0000640 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | GW5945 |
| IUPAC Name | 2-carboximidoyl-1-N-[(3-fluorophenyl)methyl]-4-N-(6-{4-[(2-methanesulfonylethyl)amino]butoxy}quinazolin-4-yl)benzene-1,4-diamine |
| Formula | C29H33FN6O3S |
| Mass | 564.674 |
| Exact Mass | 564.2318878 |
| Composition | C (61.68%), H (5.89%), F (3.36%), N (14.88%), O (8.5%), S (5.68%) |
| Atom Count | 73 |
| PI | 13.18 |
| Smiles | c12c(ccc(c1)OCCCCNCCS(=O)(=O)C)ncnc2Nc1ccc(c(c1)C=N)NCc1cccc(c1)F |
| InChI | 1S/C29H33FN6O3S/c1-40(37,38)14-12-32-11-2-3-13-39-25-8-10-28-26(17-25)29(35-20-34-28)36-24-7-9-27(22
(16-24)18-31)33-19-21-5-4-6-23(30)15-21/h4-10,15-18,20,31-33H,2-3,11-14,19H2,1H3,(H,34,35,36)/b31-18
+ |
| InChIKey | OXBHPHLVWXTIQC-FDAWAROLSA-N |
| 2D Structure |  | Structure Backbone |  |
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| 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 | 11585755 |
| 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 | - |
| ChEMBL Link | - |
