General Property |
Molceule ID (DB) | EGIN0004072 |
Inhibitor Class | Pyrrolo-triazine |
Molecule Name in Refrence Article | 12 compound |
IUPAC Name | (2R)-1-({4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl}oxy)propan-2-ol |
Formula | C19H19FN4O3 |
Mass | 370.3776 |
Exact Mass | 370.1441187 |
Composition | C (61.61%), H (5.17%), F (5.13%), N (15.13%), O (12.96%) |
Atom Count | 46 |
PI | 7.52 |
Smiles | n1cnc(c2n1cc(c2C)OC[C@H](O)C)Oc1c(c2c(cc1)[nH]c(c2)C)F |
InChI | 1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/
h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1 |
InChIKey | WCWUXEGQKLTGDX-LLVKDONJSA-N |
2D Structure | ![](./image/EGIN0004072.png) | Structure Backbone | ![](./frame/f_EGIN0004072.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 | 16570908 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | FGFR1 | Flk-1/mouse | JAK3 | LCK | PDGFR beta | PKC alpha | VEGFR1 | VEGFR2 | VEGFR-2 | Flk-1/mouse | VEGFR-1 | ALL |
Pub Chem Link |
11234052
|
Drug Bank Link | - |
ChemSpider Link | 9409099 |
ChEMBL Link | CHEMBL377300 |