| General Property |
| Molceule ID (DB) | EGIN0001885 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 28 compound |
| IUPAC Name | 4-{[5-(4-{[4-(benzyloxy)-3-chlorophenyl]amino}quinazolin-6-yl)furan-2-yl]methyl}thiomorpholin-1-ium-1-olate |
| Formula | C30H27ClN4O3S |
| Mass | 559.078 |
| Exact Mass | 558.1492391 |
| Composition | C (64.45%), H (4.87%), Cl (6.34%), N (10.02%), O (8.59%), S (5.74%) |
| Atom Count | 66 |
| PI | 10.9 |
| Smiles | C(N1CC[S@@+](CC1)[O-])c1ccc(c2ccc3c(c2)c(ncn3)Nc2cc(c(cc2)OCc2ccccc2)Cl)o1 |
| InChI | 1S/C30H27ClN4O3S/c31-26-17-23(7-10-29(26)37-19-21-4-2-1-3-5-21)34-30-25-16-22(6-9-27(25)32-20-33-30)
28-11-8-24(38-28)18-35-12-14-39(36)15-13-35/h1-11,16-17,20H,12-15,18-19H2,(H,32,33,34) |
| InChIKey | BDCAOKLPNVNFEL-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 |
9937660
|
| Drug Bank Link | - |
| ChemSpider Link | 8113286 |
| ChEMBL Link | CHEMBL212965 |
