| General Property |
| Molceule ID (DB) | EGIN0003063 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 19 compound |
| IUPAC Name | N-[4-(5-chloro-1,3-benzothiazol-2-yl)phenyl]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine |
| Formula | C30H31ClN6O2S |
| Mass | 575.124 |
| Exact Mass | 574.1917727 |
| Composition | C (62.65%), H (5.43%), Cl (6.16%), N (14.61%), O (5.56%), S (5.58%) |
| Atom Count | 71 |
| PI | 11.92 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1ccc(cc1)c1nc2c(s1)ccc(c2)Cl)OCCCN1CCN(CC1)C)OC |
| InChI | 1S/C30H31ClN6O2S/c1-36-11-13-37(14-12-36)10-3-15-39-27-18-24-23(17-26(27)38-2)29(33-19-32-24)34-22-7
-4-20(5-8-22)30-35-25-16-21(31)6-9-28(25)40-30/h4-9,16-19H,3,10-15H2,1-2H3,(H,32,33,34) |
| InChIKey | NACVPONJWZPHAP-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 | PDGFR beta | VERFR2 | Aurora A | TIE2 | VERFR2 | Aurora B | ALL |
| Pub Chem Link |
46225665
|
| Drug Bank Link | - |
| ChemSpider Link | 24648889 |
| ChEMBL Link | CHEMBL596292 |
