| General Property |
| Molceule ID (DB) | EGIN0004188 |
| Inhibitor Class | Triazine |
| Molecule Name in Refrence Article | 5 compound |
| IUPAC Name | (1r,4r)-4-aminocyclohexyl N-[(7aR)-4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethyl-7aH-pyrrolo[2,3-d]pyrimidin-6-yl]carbamate |
| Formula | C29H32N8O2 |
| Mass | 524.6168 |
| Exact Mass | 524.2648223 |
| Composition | C (66.39%), H (6.15%), N (21.36%), O (6.1%) |
| Atom Count | 71 |
| PI | 10.25 |
| Smiles | N1=CN=C(C2=C(C(=N[C@@H]12)NC(=O)O[C@@H]1CC[C@H](CC1)N)CC)Nc1cc2c(cc1)n(nc2)Cc1ccccc1 |
| InChI | 1S/C29H32N8O2/c1-2-23-25-27(31-17-32-28(25)35-26(23)36-29(38)39-22-11-8-20(30)9-12-22)34-21-10-13-24
-19(14-21)15-33-37(24)16-18-6-4-3-5-7-18/h3-7,10,13-15,17,20,22,28H,2,8-9,11-12,16,30H2,1H3,(H,31,32
,34)(H,35,36,38)/t20-,22-,28-/m1/s1 |
| InChIKey | XYSQNPURJDRMJW-QJCIYXEWSA-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 | 24628576 |
| ChEMBL Link | CHEMBL565467 |
