| General Property |
| Molceule ID (DB) | EGIN0001510 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 13a compound |
| IUPAC Name | N-[4-(benzyloxy)phenyl]-6-{3-[(2-methanesulfonylethyl)(methyl)amino]propyl}quinazolin-4-amine |
| Formula | C28H32N4O3S |
| Mass | 504.644 |
| Exact Mass | 504.2195116 |
| Composition | C (66.64%), H (6.39%), N (11.1%), O (9.51%), S (6.35%) |
| Atom Count | 68 |
| PI | 11.88 |
| Smiles | c12c(ccc(c1)CCCN(CCS(=O)(=O)C)C)ncnc2Nc1ccc(cc1)OCc1ccccc1 |
| InChI | 1S/C28H32N4O3S/c1-32(17-18-36(2,33)34)16-6-9-22-10-15-27-26(19-22)28(30-21-29-27)31-24-11-13-25(14-1
2-24)35-20-23-7-4-3-5-8-23/h3-5,7-8,10-15,19,21H,6,9,16-18,20H2,1-2H3,(H,29,30,31) |
| InChIKey | UPUSNGBILSLQMW-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 | 14684309 |
| 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 |
54365988
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | CHEMBL14874 |
