| General Property |
| Molceule ID (DB) | EGIN0000648 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | GW2016 |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-{5-[(2-methanesulfonylethyl)amino]furan-2-yl}quinazolin-4-amine |
| Formula | C28H24ClFN4O4S |
| Mass | 567.031 |
| Exact Mass | 566.1190819 |
| Composition | C (59.31%), H (4.27%), Cl (6.25%), F (3.35%), N (9.88%), O (11.29%), S (5.65%) |
| Atom Count | 63 |
| PI | 9.9 |
| Smiles | c12c(ccc(c1)c1oc(cc1)NCCS(=O)(=O)C)ncnc2Nc1ccc(c(c1)Cl)OCc1cccc(c1)F |
| InChI | 1S/C28H24ClFN4O4S/c1-39(35,36)12-11-31-27-10-9-25(38-27)19-5-7-24-22(14-19)28(33-17-32-24)34-21-6-8-
26(23(29)15-21)37-16-18-3-2-4-20(30)13-18/h2-10,13-15,17,31H,11-12,16H2,1H3,(H,32,33,34) |
| InChIKey | SXVQBMJXJUKYDZ-UHFFFAOYSA-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 | 12467226 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | CDK1 | CDK2 | cFMS | c-Raf 1 | c-Src | ERK | p38 | TIE2 | VEGFR2 | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
