| General Property |
| Molceule ID (DB) | EGIN0001111 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 26 Compound |
| IUPAC Name | 4-N-[(5S,7aS)-2-[(3-fluorophenyl)methyl]-5,7a-dihydro-1H-1,3-benzodiazol-5-yl]-5-[(1E)-(methoxyimino)methyl]pyrimidine-4,6-diamine |
| Formula | C20H20FN7O |
| Mass | 393.4175 |
| Exact Mass | 393.1713365 |
| Composition | C (61.06%), H (5.12%), F (4.83%), N (24.92%), O (4.07%) |
| Atom Count | 49 |
| PI | 12 |
| Smiles | N(c1c(c(ncn1)N)/C=N/OC)[C@@H]1C=C2[C@H](C=C1)NC(=N2)Cc1cc(ccc1)F |
| InChI | 1S/C20H20FN7O/c1-29-25-10-15-19(22)23-11-24-20(15)26-14-5-6-16-17(9-14)28-18(27-16)8-12-3-2-4-13(21)
7-12/h2-7,9-11,14,16H,8H2,1H3,(H,27,28)(H3,22,23,24,26)/b25-10+/t14-,16-/m0/s1 |
| InChIKey | FFGODZRMMXLMOF-REMWXFSVSA-N |
| 2D Structure |  | Structure Backbone |  |
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| 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 | CHEMBL402316 |
