| General Property |
| Molceule ID (DB) | EGIN0004185 |
| Inhibitor Class | Triazine |
| Molecule Name in Refrence Article | 2 compound |
| IUPAC Name | 2-(piperidin-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 | 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 | 9.21 |
| Smiles | N1=CN=C(C2=C(C(=N[C@@H]12)NC(=O)OCCN1CCCCC1)CC)Nc1cc2c(cc1)n(nc2)Cc1ccccc1 |
| InChI | 1S/C30H34N8O2/c1-2-24-26-28(34-23-11-12-25-22(17-23)18-33-38(25)19-21-9-5-3-6-10-21)31-20-32-29(26)3
5-27(24)36-30(39)40-16-15-37-13-7-4-8-14-37/h3,5-6,9-12,17-18,20,29H,2,4,7-8,13-16,19H2,1H3,(H,31,32
,34)(H,35,36,39)/t29-/m1/s1 |
| InChIKey | VDEFSHMEYOAABL-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 | 24631770 |
| ChEMBL Link | CHEMBL566350 |
