| General Property |
| Molceule ID (DB) | EGIN0001109 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 24 Compound |
| IUPAC Name | 4-N-{[(3aS,7aS)-1-[(4-fluorophenyl)methyl]-3a,7a-dihydro-1H-indazol-5-yl]methyl}-5-[(1E)-(methoxyimino)methyl]pyrimidine-4,6-diamine |
| Formula | C21H22FN7O |
| Mass | 407.4441 |
| Exact Mass | 407.1869866 |
| Composition | C (61.9%), H (5.44%), F (4.66%), N (24.06%), O (3.93%) |
| Atom Count | 52 |
| PI | 12.09 |
| Smiles | N(c1c(c(ncn1)N)/C=N/OC)CC1=C[C@H]2[C@H](C=C1)N(N=C2)Cc1ccc(cc1)F |
| InChI | 1S/C21H22FN7O/c1-30-28-11-18-20(23)25-13-26-21(18)24-9-15-4-7-19-16(8-15)10-27-29(19)12-14-2-5-17(22
)6-3-14/h2-8,10-11,13,16,19H,9,12H2,1H3,(H3,23,24,25,26)/b28-11+/t16-,19+/m1/s1 |
| InChIKey | CYVUKPZRQAMXPB-QLOMGTQGSA-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 | 18508264 |
| 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 | - |
| ChEMBL Link | CHEMBL256527 |
