| General Property |
| Molceule ID (DB) | EGIN0004184 |
| Inhibitor Class | Triazine |
| Molecule Name in Refrence Article | 1 compound |
| IUPAC Name | 2-(1H-imidazol-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 | C28H27N9O2 |
| Mass | 521.5731 |
| Exact Mass | 521.2287712 |
| Composition | C (64.48%), H (5.22%), N (24.17%), O (6.14%) |
| Atom Count | 66 |
| PI | 8.42 |
| Smiles | N1=CN=C(C2=C(C(=N[C@@H]12)NC(=O)OCCn1ccnc1)CC)Nc1cc2c(cc1)n(nc2)Cc1ccccc1 |
| InChI | 1S/C28H27N9O2/c1-2-22-24-26(30-17-31-27(24)34-25(22)35-28(38)39-13-12-36-11-10-29-18-36)33-21-8-9-23
-20(14-21)15-32-37(23)16-19-6-4-3-5-7-19/h3-11,14-15,17-18,27H,2,12-13,16H2,1H3,(H,30,31,33)(H,34,35
,38)/t27-/m1/s1 |
| InChIKey | RWAFVRRIJKQZIU-HHHXNRCGSA-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 | 24631078 |
| ChEMBL Link | CHEMBL566337 |
