General Property |
Molceule ID (DB) | EGIN0004076 |
Inhibitor Class | Pyrrolo-triazine |
Molecule Name in Refrence Article | 1n compound |
IUPAC Name | 4-{[4-({1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}amino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl}piperazin-2-one |
Formula | C25H23FN8O |
Mass | 470.5015 |
Exact Mass | 470.1978856 |
Composition | C (63.82%), H (4.93%), F (4.04%), N (23.82%), O (3.4%) |
Atom Count | 58 |
PI | 9.52 |
Smiles | c1(c2n(ncn1)ccc2CN1CC(=O)NCC1)Nc1cc2c(cc1)n(nc2)Cc1cc(ccc1)F |
InChI | 1S/C25H23FN8O/c26-20-3-1-2-17(10-20)13-34-22-5-4-21(11-19(22)12-29-34)31-25-24-18(6-8-33(24)30-16-28
-25)14-32-9-7-27-23(35)15-32/h1-6,8,10-12,16H,7,9,13-15H2,(H,27,35)(H,28,30,31) |
InChIKey | BVMZNZPGSFCWPC-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004076.png) | Structure Backbone | ![](./frame/f_EGIN0004076.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 | 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 |
10227095
|
Drug Bank Link | - |
ChemSpider Link | 8402585 |
ChEMBL Link | CHEMBL265629 |