General Property |
Molceule ID (DB) | EGIN0003299 |
Inhibitor Class | Pyrrolo-triazine |
Molecule Name in Refrence Article | 12 compound |
IUPAC Name | N-(3-chloro-4-fluorophenyl)-7-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine |
Formula | C13H10ClFN4 |
Mass | 276.697 |
Exact Mass | 276.0578023 |
Composition | C (56.43%), H (3.64%), Cl (12.81%), F (6.87%), N (20.25%) |
Atom Count | 29 |
PI | 9.03 |
Smiles | c12n(ncnc1Nc1cc(c(cc1)F)Cl)c(cc2)C |
InChI | 1S/C13H10ClFN4/c1-8-2-5-12-13(16-7-17-19(8)12)18-9-3-4-11(15)10(14)6-9/h2-7H,1H3,(H,16,17,18) |
InChIKey | VMQQVIVRWSLWHO-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0003299.png) | Structure Backbone | ![](./frame/f_EGIN0003299.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 | 15267243 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | VEGFR2 | ALL |
Pub Chem Link |
11288910
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Drug Bank Link | - |
ChemSpider Link | 9463897 |
ChEMBL Link | CHEMBL184311 |