| General Property |
| Molceule ID (DB) | EGIN0003067 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 23 compound |
| IUPAC Name | 4-[4-(1,3-benzothiazol-2-yl)-2-fluorophenoxy]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline |
| Formula | C30H30FN5O3S |
| Mass | 559.654 |
| Exact Mass | 559.2053387 |
| Composition | C (64.38%), H (5.4%), F (3.39%), N (12.51%), O (8.58%), S (5.73%) |
| Atom Count | 70 |
| PI | No isoelectric point. |
| Smiles | c1(c(cc2c(c1)c(ncn2)Oc1ccc(cc1F)c1nc2c(s1)cccc2)OCCCN1CCN(CC1)C)OC |
| InChI | 1S/C30H30FN5O3S/c1-35-11-13-36(14-12-35)10-5-15-38-27-18-24-21(17-26(27)37-2)29(33-19-32-24)39-25-9-
8-20(16-22(25)31)30-34-23-6-3-4-7-28(23)40-30/h3-4,6-9,16-19H,5,10-15H2,1-2H3 |
| InChIKey | RGGYJEYZTPRESN-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 | Aurora B | VERFR2 | Aurora A | VERFR2 | PDGFR beta | TIE2 | ALL |
| Pub Chem Link |
44552561
|
| Drug Bank Link | - |
| ChemSpider Link | 24653531 |
| ChEMBL Link | CHEMBL604483 |
