| General Property |
| Molceule ID (DB) | EGIN0003064 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 20 compound |
| IUPAC Name | 6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]-N-{4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl}quinazolin-4-amine |
| Formula | C31H31F3N6O2S |
| Mass | 608.677 |
| Exact Mass | 608.2181296 |
| Composition | C (61.17%), H (5.13%), F (9.36%), N (13.81%), O (5.26%), S (5.27%) |
| Atom Count | 74 |
| PI | 11.92 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1ccc(cc1)c1nc2c(s1)ccc(c2)C(F)(F)F)OCCCN1CCN(CC1)C)OC |
| InChI | 1S/C31H31F3N6O2S/c1-39-11-13-40(14-12-39)10-3-15-42-27-18-24-23(17-26(27)41-2)29(36-19-35-24)37-22-7
-4-20(5-8-22)30-38-25-16-21(31(32,33)34)6-9-28(25)43-30/h4-9,16-19H,3,10-15H2,1-2H3,(H,35,36,37) |
| InChIKey | PIQNNSKBFMKWGB-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 B | TIE2 | Aurora A | PDGFR beta | ALL |
| Pub Chem Link |
46225666
|
| Drug Bank Link | - |
| ChemSpider Link | 24647539 |
| ChEMBL Link | CHEMBL593908 |
