| General Property |
| Molceule ID (DB) | EGIN0004186 |
| Inhibitor Class | Triazine |
| Molecule Name in Refrence Article | 3 compound |
| IUPAC Name | 2-(piperazin-1-yl)ethyl N-[(7aR)-4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethyl-7aH-pyrrolo[2,3-d]pyrimidin-6-yl]carbamate |
| Formula | C29H33N9O2 |
| Mass | 539.6314 |
| Exact Mass | 539.2757213 |
| Composition | C (64.55%), H (6.16%), N (23.36%), O (5.93%) |
| Atom Count | 73 |
| PI | 9.6 |
| Smiles | N1=CN=C(C2=C(C(=N[C@@H]12)NC(=O)OCCN1CCNCC1)CC)Nc1cc2c(cc1)n(nc2)Cc1ccccc1 |
| InChI | 1S/C29H33N9O2/c1-2-23-25-27(34-22-8-9-24-21(16-22)17-33-38(24)18-20-6-4-3-5-7-20)31-19-32-28(25)35-2
6(23)36-29(39)40-15-14-37-12-10-30-11-13-37/h3-9,16-17,19,28,30H,2,10-15,18H2,1H3,(H,31,32,34)(H,35,
36,39)/t28-/m1/s1 |
| InChIKey | OEIFFQPPBJFHDE-MUUNZHRXSA-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 | 24630399 |
| ChEMBL Link | CHEMBL565714 |
