| General Property |
| Molceule ID (DB) | EGIN0004194 |
| Inhibitor Class | Triazine |
| Molecule Name in Refrence Article | 11 compound |
| IUPAC Name | (3S)-morpholin-3-ylmethyl N-[(7aR)-4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethyl-7aH-pyrrolo[2,3-d]pyrimidin-6-yl]carbamate |
| Formula | C28H30N8O3 |
| Mass | 526.5896 |
| Exact Mass | 526.2440869 |
| Composition | C (63.86%), H (5.74%), N (21.28%), O (9.11%) |
| Atom Count | 69 |
| PI | 8.77 |
| Smiles | N1=CN=C(C2=C(C(=N[C@@H]12)NC(=O)OC[C@@H]1COCCN1)CC)Nc1cc2c(cc1)n(nc2)Cc1ccccc1 |
| InChI | 1S/C28H30N8O3/c1-2-22-24-26(30-17-31-27(24)34-25(22)35-28(37)39-16-21-15-38-11-10-29-21)33-20-8-9-23
-19(12-20)13-32-36(23)14-18-6-4-3-5-7-18/h3-9,12-13,17,21,27,29H,2,10-11,14-16H2,1H3,(H,30,31,33)(H,
34,35,37)/t21-,27+/m0/s1 |
| InChIKey | MZXYVIPIHWTADU-KDYSTLNUSA-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 | 19821562 |
| 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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 24630633 |
| ChEMBL Link | CHEMBL567873 |
