| General Property |
| Molceule ID (DB) | EGIN0004195 |
| Inhibitor Class | Triazine |
| Molecule Name in Refrence Article | 12 compound |
| IUPAC Name | (3S)-morpholin-3-ylmethyl N-[(7aR)-5-ethyl-4-({1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}amino)-7aH-pyrrolo[2,3-d]pyrimidin-6-yl]carbamate |
| Formula | C28H29FN8O3 |
| Mass | 544.5801 |
| Exact Mass | 544.234665 |
| Composition | C (61.75%), H (5.37%), F (3.49%), N (20.58%), O (8.81%) |
| 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)Cc1cc(ccc1)F |
| InChI | 1S/C28H29FN8O3/c1-2-22-24-26(31-16-32-27(24)35-25(22)36-28(38)40-15-21-14-39-9-8-30-21)34-20-6-7-23-
18(11-20)12-33-37(23)13-17-4-3-5-19(29)10-17/h3-7,10-12,16,21,27,30H,2,8-9,13-15H2,1H3,(H,31,32,34)(
H,35,36,38)/t21-,27+/m0/s1 |
| InChIKey | IWUDGWPMXMXFFH-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 |
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| Drug Bank Link | - |
| ChemSpider Link | 24642033 |
| ChEMBL Link | CHEMBL583403 |
