General Property |
Molceule ID (DB) | EGIN0001099 |
Inhibitor Class | Pyrimidine |
Molecule Name in Refrence Article | 15 Compound |
IUPAC Name | 4-N-(3-chloro-4-fluorophenyl)-5-[(1E)-(methoxyimino)methyl]pyrimidine-4,6-diamine |
Formula | C12H11ClFN5O |
Mass | 295.7 |
Exact Mass | 295.0636159 |
Composition | C (48.74%), H (3.75%), Cl (11.99%), F (6.42%), N (23.68%), O (5.41%) |
Atom Count | 31 |
PI | 10.42 |
Smiles | N(c1c(c(ncn1)N)/C=N/OC)c1cc(c(cc1)F)Cl |
InChI | 1S/C12H11ClFN5O/c1-20-18-5-8-11(15)16-6-17-12(8)19-7-2-3-10(14)9(13)4-7/h2-6H,1H3,(H3,15,16,17,19)/b
18-5+ |
InChIKey | LIQFDQDQUXXTBU-BLLMUTORSA-N |
2D Structure | ![](./image/EGIN0001099.png) | Structure Backbone | ![](./frame/f_EGIN0001099.png) |
|
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 |
17747104
|
Drug Bank Link | - |
ChemSpider Link | 23315567 |
ChEMBL Link | CHEMBL255490 |