| General Property |
| Molceule ID (DB) | EGIN0001862 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 2 compound |
| IUPAC Name | N-[4-(benzyloxy)phenyl]-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine |
| Formula | C29H28N4O4S |
| Mass | 528.622 |
| Exact Mass | 528.1831261 |
| Composition | C (65.89%), H (5.34%), N (10.6%), O (12.11%), S (6.07%) |
| Atom Count | 66 |
| PI | 11.79 |
| Smiles | C(NCCS(=O)(=O)C)c1ccc(c2ccc3c(c2)c(ncn3)Nc2ccc(cc2)OCc2ccccc2)o1 |
| InChI | 1S/C29H28N4O4S/c1-38(34,35)16-15-30-18-25-12-14-28(37-25)22-7-13-27-26(17-22)29(32-20-31-27)33-23-8-
10-24(11-9-23)36-19-21-5-3-2-4-6-21/h2-14,17,20,30H,15-16,18-19H2,1H3,(H,31,32,33) |
| InChIKey | PMNXVLOADVXDDY-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 | 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 |
9828336
|
| Drug Bank Link | DB01259 |
| ChemSpider Link | 8004076 |
| ChEMBL Link | CHEMBL213342 |
