| General Property |
| Molceule ID (DB) | EGIN0003068 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 24 compound |
| IUPAC Name | 4-[4-(1,3-benzothiazol-2-yl)phenoxy]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline |
| Formula | C30H31N5O3S |
| Mass | 541.664 |
| Exact Mass | 541.2147606 |
| Composition | C (66.52%), H (5.77%), N (12.93%), O (8.86%), S (5.92%) |
| Atom Count | 70 |
| PI | No isoelectric point. |
| Smiles | c1(c(cc2c(c1)c(ncn2)Oc1ccc(cc1)c1nc2c(s1)cccc2)OCCCN1CCN(CC1)C)OC |
| InChI | 1S/C30H31N5O3S/c1-34-13-15-35(16-14-34)12-5-17-37-27-19-25-23(18-26(27)36-2)29(32-20-31-25)38-22-10-
8-21(9-11-22)30-33-24-6-3-4-7-28(24)39-30/h3-4,6-11,18-20H,5,12-17H2,1-2H3 |
| InChIKey | CVMUHXWSBHMVGZ-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 | PDGFR beta | TIE2 | Aurora B | Aurora A | ALL |
| Pub Chem Link |
12000646
|
| Drug Bank Link | - |
| ChemSpider Link | 10173113 |
| ChEMBL Link | CHEMBL595143 |
