| General Property |
| Molceule ID (DB) | EGIN0004187 |
| Inhibitor Class | Triazine |
| Molecule Name in Refrence Article | 4 compound |
| IUPAC Name | 2-(morpholin-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 | C29H32N8O3 |
| Mass | 540.6162 |
| Exact Mass | 540.2597369 |
| Composition | C (64.43%), H (5.97%), N (20.73%), O (8.88%) |
| Atom Count | 72 |
| PI | 8.11 |
| Smiles | N1=CN=C(C2=C(C(=N[C@@H]12)NC(=O)OCCN1CCOCC1)CC)Nc1cc2c(cc1)n(nc2)Cc1ccccc1 |
| InChI | 1S/C29H32N8O3/c1-2-23-25-27(33-22-8-9-24-21(16-22)17-32-37(24)18-20-6-4-3-5-7-20)30-19-31-28(25)34-2
6(23)35-29(38)40-15-12-36-10-13-39-14-11-36/h3-9,16-17,19,28H,2,10-15,18H2,1H3,(H,30,31,33)(H,34,35,
38)/t28-/m1/s1 |
| InChIKey | KEVRXXIPROHNSG-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 | 24639583 |
| ChEMBL Link | CHEMBL578255 |
