General Property |
Molceule ID (DB) | EGIN0004077 |
Inhibitor Class | Pyrrolo-triazine |
Molecule Name in Refrence Article | 1o compound |
IUPAC Name | 1-(4-{[4-({1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}amino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl}piperazin-1-yl)ethan-1-one |
Formula | C27H27FN8O |
Mass | 498.5547 |
Exact Mass | 498.2291857 |
Composition | C (65.05%), H (5.46%), F (3.81%), N (22.48%), O (3.21%) |
Atom Count | 64 |
PI | 10.5 |
Smiles | c1(c2n(ncn1)ccc2CN1CCN(CC1)C(=O)C)Nc1cc2c(cc1)n(nc2)Cc1cc(ccc1)F |
InChI | 1S/C27H27FN8O/c1-19(37)34-11-9-33(10-12-34)17-21-7-8-35-26(21)27(29-18-31-35)32-24-5-6-25-22(14-24)1
5-30-36(25)16-20-3-2-4-23(28)13-20/h2-8,13-15,18H,9-12,16-17H2,1H3,(H,29,31,32) |
InChIKey | NFDDLNNYPCZJSB-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004077.png) | Structure Backbone | ![](./frame/f_EGIN0004077.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 | 11388996 |
ChEMBL Link | CHEMBL231885 |