General Property |
Molceule ID (DB) | EGIN0001464 |
Inhibitor Class | Pyrrolo-triazine |
Molecule Name in Refrence Article | 21 compound |
IUPAC Name | 1-[(3-fluorophenyl)methyl]-N-{5-[(piperidin-4-yloxy)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}-1H-indazol-5-amine |
Formula | C26H26FN7O |
Mass | 471.5293 |
Exact Mass | 471.2182867 |
Composition | C (66.23%), H (5.56%), F (4.03%), N (20.79%), O (3.39%) |
Atom Count | 61 |
PI | 12.23 |
Smiles | n1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1cccc(c1)F)c(cc2)COC1CCNCC1 |
InChI | 1S/C26H26FN7O/c27-21-3-1-2-18(12-21)15-34-24-5-4-22(13-20(24)14-30-34)32-26-25-19(8-11-33(25)31-17-2
9-26)16-35-23-6-9-28-10-7-23/h1-5,8,11-14,17,23,28H,6-7,9-10,15-16H2,(H,29,31,32) |
InChIKey | FHXTXHDRGUEYSH-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001464.png) | Structure Backbone | ![](./frame/f_EGIN0001464.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 | 17270437 |
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 |
10195479
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Drug Bank Link | - |
ChemSpider Link | 8370979 |
ChEMBL Link | CHEMBL245869 |