General Property |
Molceule ID (DB) | EGIN0001119 |
Inhibitor Class | Pyrimidine |
Molecule Name in Refrence Article | 34 Compound |
IUPAC Name | 4-N-{1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}-5-[(1E)-[(propan-2-yloxy)imino]methyl]pyrimidine-4,6-diamine |
Formula | C22H22FN7O |
Mass | 419.4548 |
Exact Mass | 419.1869866 |
Composition | C (62.99%), H (5.29%), F (4.53%), N (23.37%), O (3.81%) |
Atom Count | 53 |
PI | 10.28 |
Smiles | c1cc(cc2c1n(nc2)Cc1cccc(c1)F)Nc1ncnc(c1/C=N/OC(C)C)N |
InChI | 1S/C22H22FN7O/c1-14(2)31-28-11-19-21(24)25-13-26-22(19)29-18-6-7-20-16(9-18)10-27-30(20)12-15-4-3-5-
17(23)8-15/h3-11,13-14H,12H2,1-2H3,(H3,24,25,26,29)/b28-11+ |
InChIKey | VBFBOJPZZPXTID-IPBVOBEMSA-N |
2D Structure | ![](./image/EGIN0001119.png) | Structure Backbone | ![](./frame/f_EGIN0001119.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 | 18508264 |
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 |
17747281
|
Drug Bank Link | - |
ChemSpider Link | 23315362 |
ChEMBL Link | CHEMBL402293 |