General Property |
Molceule ID (DB) | EGIN0004089 |
Inhibitor Class | Pyrrolo-triazine |
Molecule Name in Refrence Article | 1f compound |
IUPAC Name | 2-({[4-({1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}amino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl}(methyl)amino)ethan-1-ol |
Formula | C24H24FN7O |
Mass | 445.4921 |
Exact Mass | 445.2026366 |
Composition | C (64.71%), H (5.43%), F (4.26%), N (22.01%), O (3.59%) |
Atom Count | 57 |
PI | 11.36 |
Smiles | c1(c2n(ncn1)ccc2CN(CCO)C)Nc1cc2c(cc1)n(nc2)Cc1cc(ccc1)F |
InChI | 1S/C24H24FN7O/c1-30(9-10-33)15-18-7-8-31-23(18)24(26-16-28-31)29-21-5-6-22-19(12-21)13-27-32(22)14-1
7-3-2-4-20(25)11-17/h2-8,11-13,16,33H,9-10,14-15H2,1H3,(H,26,28,29) |
InChIKey | KAQAVWVXKVKDIM-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004089.png) | Structure Backbone | ![](./frame/f_EGIN0004089.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 |
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Drug Bank Link | - |
ChemSpider Link | 11389078 |
ChEMBL Link | CHEMBL391521 |