General Property |
Molceule ID (DB) | EGIN0004093 |
Inhibitor Class | Pyrrolo-triazine |
Molecule Name in Refrence Article | 1j compound |
IUPAC Name | methyl 1-{[4-({1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}amino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl}piperidine-4-carboxylate |
Formula | C28H28FN7O2 |
Mass | 513.566 |
Exact Mass | 513.2288514 |
Composition | C (65.48%), H (5.5%), F (3.7%), N (19.09%), O (6.23%) |
Atom Count | 66 |
PI | 11.09 |
Smiles | c1(c2n(ncn1)ccc2CN1CC[C@H](CC1)C(=O)OC)Nc1cc2c(cc1)n(nc2)Cc1cc(ccc1)F |
InChI | 1S/C28H28FN7O2/c1-38-28(37)20-7-10-34(11-8-20)17-21-9-12-35-26(21)27(30-18-32-35)33-24-5-6-25-22(14-
24)15-31-36(25)16-19-3-2-4-23(29)13-19/h2-6,9,12-15,18,20H,7-8,10-11,16-17H2,1H3,(H,30,32,33) |
InChIKey | QHGVESLEXVDJPY-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004093.png) | Structure Backbone | ![](./frame/f_EGIN0004093.png) |
|
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 | 17368025 |
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 |
-
|
Drug Bank Link | - |
ChemSpider Link | 23292085 |
ChEMBL Link | CHEMBL231663 |