| General Property |
| Molceule ID (DB) | EGIN0003058 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 14 compound |
| IUPAC Name | N-[4-(1,3-benzothiazol-2-yl)-3-fluorophenyl]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine |
| Formula | C30H31FN6O2S |
| Mass | 558.67 |
| Exact Mass | 558.2213232 |
| Composition | C (64.5%), H (5.59%), F (3.4%), N (15.04%), O (5.73%), S (5.74%) |
| Atom Count | 71 |
| PI | 11.63 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1ccc(c(c1)F)c1nc2c(s1)cccc2)OCCCN1CCN(CC1)C)OC |
| InChI | 1S/C30H31FN6O2S/c1-36-11-13-37(14-12-36)10-5-15-39-27-18-25-22(17-26(27)38-2)29(33-19-32-25)34-20-8-
9-21(23(31)16-20)30-35-24-6-3-4-7-28(24)40-30/h3-4,6-9,16-19H,5,10-15H2,1-2H3,(H,32,33,34) |
| InChIKey | ZUXFIRWLAQBCCS-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 | PDGFR beta | Aurora B | VERFR2 | Aurora A | TIE2 | ALL |
| Pub Chem Link |
46225663
|
| Drug Bank Link | - |
| ChemSpider Link | 24648247 |
| ChEMBL Link | CHEMBL593987 |
