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 | ![](./image/EGIN0004024.png) | Structure Backbone | ![](./frame/f_EGIN0004024.png) |
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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
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Drug Bank Link | - |
ChemSpider Link | 8066416 |
ChEMBL Link | CHEMBL102301 |