| General Property |
| Molceule ID (DB) | EGIN0004189 |
| Inhibitor Class | Triazine |
| Molecule Name in Refrence Article | 6 compound |
| IUPAC Name | (1s,4s)-4-amino-4-methylcyclohexyl 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 | 10.36 |
| Smiles | [C@@]1(C)(N)CC[C@@H](OC(=O)NC2=N[C@H]3N=CN=C(C3=C2CC)Nc2cc3c(cc2)n(nc3)Cc2ccccc2)CC1 |
| InChI | 1S/C30H34N8O2/c1-3-23-25-27(35-21-9-10-24-20(15-21)16-34-38(24)17-19-7-5-4-6-8-19)32-18-33-28(25)36-
26(23)37-29(39)40-22-11-13-30(2,31)14-12-22/h4-10,15-16,18,22,28H,3,11-14,17,31H2,1-2H3,(H,32,33,35)
(H,36,37,39)/t22-,28-,30+/m1/s1 |
| InChIKey | HVJQYIDZJSEHCZ-BOGJOCPPSA-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 | 24631460 |
| ChEMBL Link | CHEMBL567197 |
