| General Property |
| Molceule ID (DB) | EGIN0003065 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 21 compound |
| IUPAC Name | N-[4-(6-chloro-1,3-benzothiazol-2-yl)-2-fluorophenyl]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine |
| Formula | C30H30ClFN6O2S |
| Mass | 593.115 |
| Exact Mass | 592.1823508 |
| Composition | C (60.75%), H (5.1%), Cl (5.98%), F (3.2%), N (14.17%), O (5.4%), S (5.41%) |
| Atom Count | 71 |
| PI | 10.69 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1c(cc(c2nc3c(s2)cc(cc3)Cl)cc1)F)OCCCN1CCN(CC1)C)OC |
| InChI | 1S/C30H30ClFN6O2S/c1-37-9-11-38(12-10-37)8-3-13-40-27-17-25-21(16-26(27)39-2)29(34-18-33-25)35-23-6-
4-19(14-22(23)32)30-36-24-7-5-20(31)15-28(24)41-30/h4-7,14-18H,3,8-13H2,1-2H3,(H,33,34,35) |
| InChIKey | WZTHBTBWYVSGPF-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 | VERFR2 | TIE2 | Aurora A | Aurora B | PDGFR beta | ALL |
| Pub Chem Link |
46225667
|
| Drug Bank Link | - |
| ChemSpider Link | 24647540 |
| ChEMBL Link | CHEMBL593909 |
