| General Property |
| Molceule ID (DB) | EGIN0002549 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 8m compound |
| IUPAC Name | 1-({4-[(3-chloro-4-methoxyphenyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl}methyl)piperidin-4-amine |
| Formula | C19H23ClN6O |
| Mass | 386.879 |
| Exact Mass | 386.1621871 |
| Composition | C (58.99%), H (5.99%), Cl (9.16%), N (21.72%), O (4.14%) |
| Atom Count | 50 |
| PI | 12.76 |
| Smiles | n1cnc(c2n1ccc2CN1CC[C@H](CC1)N)Nc1ccc(c(c1)Cl)OC |
| InChI | 1S/C19H23ClN6O/c1-27-17-3-2-15(10-16(17)20)24-19-18-13(4-9-26(18)23-12-22-19)11-25-7-5-14(21)6-8-25/
h2-4,9-10,12,14H,5-8,11,21H2,1H3,(H,22,23,24) |
| InChIKey | MDJCMNYFTLUIDM-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| 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 |
53322058
|
| Drug Bank Link | - |
| ChemSpider Link | 26380667 |
| ChEMBL Link | CHEMBL1645477 |
