| General Property |
| Molceule ID (DB) | EGIN0003049 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 5 compound |
| IUPAC Name | N-[4-(1,3-benzothiazol-2-yl)phenyl]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine |
| Formula | C30H32N6O2S |
| Mass | 540.679 |
| Exact Mass | 540.230745 |
| Composition | C (66.64%), H (5.97%), N (15.54%), O (5.92%), S (5.93%) |
| Atom Count | 71 |
| PI | 11.92 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1ccc(cc1)c1nc2c(s1)cccc2)OCCCN1CCN(CC1)C)OC |
| InChI | 1S/C30H32N6O2S/c1-35-13-15-36(16-14-35)12-5-17-38-27-19-25-23(18-26(27)37-2)29(32-20-31-25)33-22-10-
8-21(9-11-22)30-34-24-6-3-4-7-28(24)39-30/h3-4,6-11,18-20H,5,12-17H2,1-2H3,(H,31,32,33) |
| InChIKey | OZWMSXPIQVMFDE-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 | PDGFR beta | TIE2 | Aurora B | VERFR2 | ALL |
| Pub Chem Link |
46225612
|
| Drug Bank Link | - |
| ChemSpider Link | 24648852 |
| ChEMBL Link | CHEMBL595615 |
