| General Property |
| Molceule ID (DB) | EGIN0003066 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 22 compound |
| IUPAC Name | N-[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]-6-methoxy-N-methyl-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine |
| Formula | C32H36N6O3S |
| Mass | 584.732 |
| Exact Mass | 584.2569597 |
| Composition | C (65.73%), H (6.21%), N (14.37%), O (8.21%), S (5.48%) |
| Atom Count | 78 |
| PI | No isoelectric point. |
| Smiles | c1(c(cc2c(c1)c(ncn2)N(c1ccc(c(c1)OC)c1nc2c(s1)cccc2)C)OCCCN1CCN(CC1)C)OC |
| InChI | 1S/C32H36N6O3S/c1-36-13-15-38(16-14-36)12-7-17-41-29-20-26-24(19-28(29)40-4)31(34-21-33-26)37(2)22-1
0-11-23(27(18-22)39-3)32-35-25-8-5-6-9-30(25)42-32/h5-6,8-11,18-21H,7,12-17H2,1-4H3 |
| InChIKey | NSXLLHJZQNFGCH-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 | TIE2 | VERFR2 | Aurora A | Aurora B | ALL |
| Pub Chem Link |
46225668
|
| Drug Bank Link | - |
| ChemSpider Link | 24646072 |
| ChEMBL Link | CHEMBL593770 |
