General Property |
Molceule ID (DB) | EGIN0002007 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 9 compound |
IUPAC Name | N,N-dimethyl-2-[(4-{[1-(pyridin-2-ylmethyl)-1H-indazol-5-yl]amino}quinazolin-5-yl)oxy]acetamide |
Formula | C25H23N7O2 |
Mass | 453.4958 |
Exact Mass | 453.191323 |
Composition | C (66.21%), H (5.11%), N (21.62%), O (7.06%) |
Atom Count | 57 |
PI | 9.88 |
Smiles | c12c(cccc1ncnc2Nc1cc2c(cc1)n(nc2)Cc1ccccn1)OCC(=O)N(C)C |
InChI | InChI=1S/C25H23N7O2/c1-31(2)23(33)15-34-22-8-5-7-20-24(22)25(28-16-27-20)30-18-9-10-21-17(12-18)13-2
9-32(21)14-19-6-3-4-11-26-19/h3-13,16H,14-15H2,1-2H3,(H,27,28,30) |
InChIKey | InChIKey=KRJUXCUAQWRJDR-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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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 | 18313293 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | No activity data against other kinases present in database |
Pub Chem Link |
16117089
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Drug Bank Link | - |
ChemSpider Link | 17274308 |
ChEMBL Link | CHEMBL428774 |