General Property |
Molceule ID (DB) | EGIN0001115 |
Inhibitor Class | Pyrimidine |
Molecule Name in Refrence Article | 30 Compound |
IUPAC Name | 4-N-[2-(3-fluorophenyl)-1-benzofuran-5-yl]-5-[(1E)-(methoxyimino)methyl]pyrimidine-4,6-diamine |
Formula | C20H16FN5O2 |
Mass | 377.3717 |
Exact Mass | 377.128803 |
Composition | C (63.65%), H (4.27%), F (5.03%), N (18.56%), O (8.48%) |
Atom Count | 44 |
PI | 10.29 |
Smiles | Fc1cccc(c1)c1cc2cc(ccc2o1)Nc1c(c(ncn1)N)/C=N/OC |
InChI | InChI=1S/C20H16FN5O2/c1-27-25-10-16-19(22)23-11-24-20(16)26-15-5-6-17-13(8-15)9-18(28-17)12-3-2-4-14
(21)7-12/h2-11H,1H3,(H3,22,23,24,26)/b25-10+ |
InChIKey | InChIKey=RSHRUGPBPKSJLD-KIBLKLHPSA-N |
2D Structure | ![](./image/EGIN0001115.png) | Structure Backbone | ![](./frame/f_EGIN0001115.png) |
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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 |
44448864
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Drug Bank Link | - |
ChemSpider Link | 23315410 |
ChEMBL Link | CHEMBL402551 |