| General Property |
| Molceule ID (DB) | EGIN0003050 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 6 compound |
| IUPAC Name | N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine |
| Formula | C31H34N6O2S |
| Mass | 554.706 |
| Exact Mass | 554.2463951 |
| Composition | C (67.12%), H (6.18%), N (15.15%), O (5.77%), S (5.78%) |
| Atom Count | 74 |
| PI | 12.03 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1ccc(cc1C)c1nc2c(s1)cccc2)OCCCN1CCN(CC1)C)OC |
| InChI | 1S/C31H34N6O2S/c1-21-17-22(31-35-25-7-4-5-8-29(25)40-31)9-10-24(21)34-30-23-18-27(38-3)28(19-26(23)3
2-20-33-30)39-16-6-11-37-14-12-36(2)13-15-37/h4-5,7-10,17-20H,6,11-16H2,1-3H3,(H,32,33,34) |
| InChIKey | SSHDKAJDJAVHAF-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 | VERFR2 | Aurora A | VERFR2 | TIE2 | Aurora B | PDGFR beta | ALL |
| Pub Chem Link |
46225688
|
| Drug Bank Link | - |
| ChemSpider Link | 24647082 |
| ChEMBL Link | CHEMBL595406 |
