General Property |
Molceule ID (DB) | EGIN0002541 |
Inhibitor Class | Pyrrolo-triazine |
Molecule Name in Refrence Article | 8e compound |
IUPAC Name | 1-({4-[(2-methylphenyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl}methyl)piperidin-4-amine |
Formula | C19H24N6 |
Mass | 336.4341 |
Exact Mass | 336.2062448 |
Composition | C (67.83%), H (7.19%), N (24.98%) |
Atom Count | 49 |
PI | 12.85 |
Smiles | n1cnc(c2n1ccc2CN1CC[C@H](CC1)N)Nc1ccccc1C |
InChI | 1S/C19H24N6/c1-14-4-2-3-5-17(14)23-19-18-15(6-11-25(18)22-13-21-19)12-24-9-7-16(20)8-10-24/h2-6,11,1
3,16H,7-10,12,20H2,1H3,(H,21,22,23) |
InChIKey | VVORMAVELBPTAS-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002541.png) | Structure Backbone | ![](./frame/f_EGIN0002541.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 |
21874402
|
Drug Bank Link | - |
ChemSpider Link | 10620740 |
ChEMBL Link | CHEMBL1645469 |