| General Property |
| Molceule ID (DB) | EGIN0004024 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | KN734 |
| IUPAC Name | (E)-N-(2H-1,3-benzodioxol-5-ylmethyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboimidothioic acid |
| Formula | C23H25N5O4S |
| Mass | 467.541 |
| Exact Mass | 467.162725 |
| Composition | C (59.08%), H (5.39%), N (14.98%), O (13.69%), S (6.86%) |
| Atom Count | 58 |
| PI | 9.46 |
| Smiles | c12c(N3CCN(/C(=NCc4cc5c(OCO5)cc4)/S)CC3)ncnc1cc(c(c2)OC)OC |
| InChI | 1S/C23H25N5O4S/c1-29-19-10-16-17(11-20(19)30-2)25-13-26-22(16)27-5-7-28(8-6-27)23(33)24-12-15-3-4-18
-21(9-15)32-14-31-18/h3-4,9-11,13H,5-8,12,14H2,1-2H3,(H,24,33) |
| InChIKey | ORRFUYVNMZSYIC-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 | 12238930 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | Abl | CSF1R | Erk | Jnk | Mek1 | Mkk6 | p38 | PKA | PKC | Src | beta PDGFR | Flt3 | FGFR | VEGFR2 | alpha-PDGFR | c-kit | ALL |
| Pub Chem Link |
9890746
|
| Drug Bank Link | - |
| ChemSpider Link | 8066416 |
| ChEMBL Link | CHEMBL102301 |
