| General Property |
| Molceule ID (DB) | EGIN0003051 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 7 compound |
| IUPAC Name | 5-(1,3-benzothiazol-2-yl)-2-({6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl}amino)phenol |
| Formula | C30H32N6O3S |
| Mass | 556.678 |
| Exact Mass | 556.2256596 |
| Composition | C (64.73%), H (5.79%), N (15.1%), O (8.62%), S (5.76%) |
| Atom Count | 72 |
| PI | 8.67 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1ccc(cc1O)c1nc2c(s1)cccc2)OCCCN1CCN(CC1)C)OC |
| InChI | 1S/C30H32N6O3S/c1-35-11-13-36(14-12-35)10-5-15-39-27-18-24-21(17-26(27)38-2)29(32-19-31-24)33-22-9-8
-20(16-25(22)37)30-34-23-6-3-4-7-28(23)40-30/h3-4,6-9,16-19,37H,5,10-15H2,1-2H3,(H,31,32,33) |
| InChIKey | XXSQNJQHHHVCBG-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 | 19692247 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | PDGF beta | Aurora A | TIE2 | Aurora B | VERFR2 | VERFR2 | ALL |
| Pub Chem Link |
46225596
|
| Drug Bank Link | - |
| ChemSpider Link | 24647953 |
| ChEMBL Link | CHEMBL595142 |
