General Property |
Molceule ID (DB) | EGIN0002538 |
Inhibitor Class | Pyrrolo-triazine |
Molecule Name in Refrence Article | 8b compound |
IUPAC Name | 1-({4-[(3-ethynylphenyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl}methyl)piperidin-4-amine |
Formula | C20H22N6 |
Mass | 346.4289 |
Exact Mass | 346.1905947 |
Composition | C (69.34%), H (6.4%), N (24.26%) |
Atom Count | 48 |
PI | 12.58 |
Smiles | n1cnc(c2n1ccc2CN1CC[C@H](CC1)N)Nc1cc(ccc1)C#C |
InChI | 1S/C20H22N6/c1-2-15-4-3-5-18(12-15)24-20-19-16(6-11-26(19)23-14-22-20)13-25-9-7-17(21)8-10-25/h1,3-6
,11-12,14,17H,7-10,13,21H2,(H,22,23,24) |
InChIKey | RKUHGVDFHLNNLT-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002538.png) | Structure Backbone | ![](./frame/f_EGIN0002538.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 | 21177105 |
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 |
11382411
|
Drug Bank Link | - |
ChemSpider Link | 9557324 |
ChEMBL Link | CHEMBL1645466 |