General Property |
Molceule ID (DB) | EGIN0001385 |
Inhibitor Class | Pyrrolo-triazine |
Molecule Name in Refrence Article | 5i compound |
IUPAC Name | ethyl 4-[(1-benzyl-1H-indazol-5-yl)amino]-5-(propan-2-yl)pyrrolo[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 | 7.99 |
Smiles | n1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1ccccc1)c(c(c2)C(=O)OCC)C(C)C |
InChI | 1S/C26H26N6O2/c1-4-34-26(33)21-15-32-24(23(21)17(2)3)25(27-16-29-32)30-20-10-11-22-19(12-20)13-28-31
(22)14-18-8-6-5-7-9-18/h5-13,15-17H,4,14H2,1-3H3,(H,27,29,30) |
InChIKey | DLACNDICKJWAMH-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001385.png) | Structure Backbone | ![](./frame/f_EGIN0001385.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 |
23646542
|
Drug Bank Link | - |
ChemSpider Link | 23261328 |
ChEMBL Link | CHEMBL365606 |