| General Property |
| Molceule ID (DB) | EGIN0001474 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 35 compound |
| IUPAC Name | N-(5-{[(2S)-morpholin-2-ylmethoxy]methyl}pyrrolo[2,1-f][1,2,4]triazin-4-yl)-1-[(1R)-1-phenylethyl]-1H-indazol-5-amine |
| Formula | C27H29N7O2 |
| Mass | 483.5649 |
| Exact Mass | 483.2382732 |
| Composition | C (67.06%), H (6.04%), N (20.28%), O (6.62%) |
| Atom Count | 65 |
| PI | 11.42 |
| Smiles | [C@H]1(CNCCO1)COCc1c2c(ncnn2cc1)Nc1ccc2c(c1)cnn2[C@@H](c1ccccc1)C |
| InChI | 1S/C27H29N7O2/c1-19(20-5-3-2-4-6-20)34-25-8-7-23(13-22(25)14-30-34)32-27-26-21(9-11-33(26)31-18-29-2
7)16-35-17-24-15-28-10-12-36-24/h2-9,11,13-14,18-19,24,28H,10,12,15-17H2,1H3,(H,29,31,32)/t19-,24+/m
1/s1 |
| InChIKey | CJHNARCORXPMOD-DVECYGJZSA-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 | 17270437 |
| 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 |
44440841
|
| Drug Bank Link | - |
| ChemSpider Link | 23305125 |
| ChEMBL Link | CHEMBL394495 |
