General Property |
Molceule ID (DB) | EGIN0001386 |
Inhibitor Class | Pyrrolo-triazine |
Molecule Name in Refrence Article | 5j compound |
IUPAC Name | ethyl 4-[(1-benzyl-1H-indazol-5-yl)amino]-5-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate |
Formula | C26H26N6O2 |
Mass | 454.5236 |
Exact Mass | 454.2117241 |
Composition | C (68.7%), H (5.77%), N (18.49%), O (7.04%) |
Atom Count | 60 |
PI | 8 |
Smiles | n1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1ccccc1)c(c(c2)C(=O)OCC)CCC |
InChI | 1S/C26H26N6O2/c1-3-8-21-22(26(33)34-4-2)16-32-24(21)25(27-17-29-32)30-20-11-12-23-19(13-20)14-28-31(
23)15-18-9-6-5-7-10-18/h5-7,9-14,16-17H,3-4,8,15H2,1-2H3,(H,27,29,30) |
InChIKey | VRGOWRHHJHLAFC-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001386.png) | Structure Backbone | ![](./frame/f_EGIN0001386.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 | 16111887 |
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 |
23589555
|
Drug Bank Link | - |
ChemSpider Link | 19705456 |
ChEMBL Link | CHEMBL438805 |