General Property |
Molceule ID (DB) | EGIN0001863 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 3 compound |
IUPAC Name | N-{4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine |
Formula | C29H27FN4O4S |
Mass | 546.612 |
Exact Mass | 546.1737043 |
Composition | C (63.72%), H (4.98%), F (3.48%), N (10.25%), O (11.71%), S (5.87%) |
Atom Count | 66 |
PI | 11.79 |
Smiles | C(NCCS(=O)(=O)C)c1ccc(c2ccc3c(c2)c(ncn3)Nc2ccc(cc2)OCc2cc(ccc2)F)o1 |
InChI | 1S/C29H27FN4O4S/c1-39(35,36)14-13-31-17-25-10-12-28(38-25)21-5-11-27-26(16-21)29(33-19-32-27)34-23-6
-8-24(9-7-23)37-18-20-3-2-4-22(30)15-20/h2-12,15-16,19,31H,13-14,17-18H2,1H3,(H,32,33,34) |
InChIKey | RZEMPBRXCDBLDH-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001863.png) | Structure Backbone | ![](./frame/f_EGIN0001863.png) |
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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 | 16777410 |
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 |
9893671
|
Drug Bank Link | DB01259 |
ChemSpider Link | 8069341 |
ChEMBL Link | CHEMBL213818 |