| General Property |
| Molceule ID (DB) | EGIN0004190 |
| Inhibitor Class | Triazine |
| Molecule Name in Refrence Article | 7 compound |
| IUPAC Name | 2-(piperidin-4-yl)ethyl N-[(7aR)-4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethyl-7aH-pyrrolo[2,3-d]pyrimidin-6-yl]carbamate |
| Formula | C30H34N8O2 |
| Mass | 538.6434 |
| Exact Mass | 538.2804724 |
| Composition | C (66.89%), H (6.36%), N (20.8%), O (5.94%) |
| Atom Count | 74 |
| PI | 10.2 |
| Smiles | N1CCC(CCOC(=O)NC2=N[C@H]3N=CN=C(C3=C2CC)Nc2cc3c(cc2)n(nc3)Cc2ccccc2)CC1 |
| InChI | 1S/C30H34N8O2/c1-2-24-26-28(35-23-8-9-25-22(16-23)17-34-38(25)18-21-6-4-3-5-7-21)32-19-33-29(26)36-2
7(24)37-30(39)40-15-12-20-10-13-31-14-11-20/h3-9,16-17,19-20,29,31H,2,10-15,18H2,1H3,(H,32,33,35)(H,
36,37,39)/t29-/m1/s1 |
| InChIKey | JLLZADRFOWOBPP-GDLZYMKVSA-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 | 24638639 |
| ChEMBL Link | CHEMBL578044 |
