General Property |
Molceule ID (DB) | EGIN0001462 |
Inhibitor Class | Pyrrolo-triazine |
Molecule Name in Refrence Article | 19 compound |
IUPAC Name | N-{5-[(4-aminobutoxy)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}-1-[(3-fluorophenyl)methyl]-1H-indazol-5-amine |
Formula | C25H26FN7O |
Mass | 459.5186 |
Exact Mass | 459.2182867 |
Composition | C (65.34%), H (5.7%), F (4.13%), N (21.34%), O (3.48%) |
Atom Count | 60 |
PI | 12.32 |
Smiles | n1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1cccc(c1)F)c(cc2)COCCCCN |
InChI | 1S/C25H26FN7O/c26-21-5-3-4-18(12-21)15-33-23-7-6-22(13-20(23)14-29-33)31-25-24-19(16-34-11-2-1-9-27)
8-10-32(24)30-17-28-25/h3-8,10,12-14,17H,1-2,9,11,15-16,27H2,(H,28,30,31) |
InChIKey | MRDZXMOZCRVRBY-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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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 |
10226418
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Drug Bank Link | - |
ChemSpider Link | 8401908 |
ChEMBL Link | CHEMBL245867 |