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 | ![](./image/EGIN0000648.png) | Structure Backbone | ![](./frame/f_EGIN0000648.png) |
|
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 |
-
|
Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |