| General Property |
| Molceule ID (DB) | EGIN0003057 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 13 compound |
| IUPAC Name | N-[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine |
| Formula | C31H34N6O3S |
| Mass | 570.705 |
| Exact Mass | 570.2413097 |
| Composition | C (65.24%), H (6%), N (14.73%), O (8.41%), S (5.62%) |
| Atom Count | 75 |
| PI | 11.75 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1ccc(c(c1)OC)c1nc2c(s1)cccc2)OCCCN1CCN(CC1)C)OC |
| InChI | 1S/C31H34N6O3S/c1-36-12-14-37(15-13-36)11-6-16-40-28-19-25-23(18-27(28)39-3)30(33-20-32-25)34-21-9-1
0-22(26(17-21)38-2)31-35-24-7-4-5-8-29(24)41-31/h4-5,7-10,17-20H,6,11-16H2,1-3H3,(H,32,33,34) |
| InChIKey | UJBJAMOSBBJZBK-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 | TIE2 | Aurora A | VERFR2 | PDGFR beta | Aurora B | VERFR2 | ALL |
| Pub Chem Link |
46225657
|
| Drug Bank Link | - |
| ChemSpider Link | 24646427 |
| ChEMBL Link | CHEMBL593860 |
