General Property |
Molceule ID (DB) | EGIN0001376 |
Inhibitor Class | Pyrrolo-triazine |
Molecule Name in Refrence Article | 5a compound |
IUPAC Name | ethyl 4-[(3-chloro-4-fluorophenyl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate |
Formula | C17H16ClFN4O2 |
Mass | 362.786 |
Exact Mass | 362.0945817 |
Composition | C (56.28%), H (4.45%), Cl (9.77%), F (5.24%), N (15.44%), O (8.82%) |
Atom Count | 41 |
PI | 7.76 |
Smiles | n1cnn2c(c1Nc1ccc(c(c1)Cl)F)c(c(c2)C(=O)OCC)CC |
InChI | 1S/C17H16ClFN4O2/c1-3-11-12(17(24)25-4-2)8-23-15(11)16(20-9-21-23)22-10-5-6-14(19)13(18)7-10/h5-9H,3
-4H2,1-2H3,(H,20,21,22) |
InChIKey | DCVODVBLQRXBMG-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001376.png) | Structure Backbone | ![](./frame/f_EGIN0001376.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 |
23646535
|
Drug Bank Link | - |
ChemSpider Link | 23261302 |
ChEMBL Link | CHEMBL196018 |