General Property |
Molceule ID (DB) | EGIN0001449 |
Inhibitor Class | Pyrrolo-triazine |
Molecule Name in Refrence Article | 7 compound |
IUPAC Name | 1-benzyl-N-{5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl}-1H-indazol-5-amine |
Formula | C21H18N6 |
Mass | 354.4078 |
Exact Mass | 354.1592946 |
Composition | C (71.17%), H (5.12%), N (23.71%) |
Atom Count | 45 |
PI | 9.03 |
Smiles | n1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1ccccc1)c(cc2)C |
InChI | 1S/C21H18N6/c1-15-9-10-26-20(15)21(22-14-24-26)25-18-7-8-19-17(11-18)12-23-27(19)13-16-5-3-2-4-6-16/
h2-12,14H,13H2,1H3,(H,22,24,25) |
InChIKey | QUMXZLSLZVWESB-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 |
44440815
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Drug Bank Link | - |
ChemSpider Link | 23305097 |
ChEMBL Link | CHEMBL429827 |