General Property |
Molceule ID (DB) | EGIN0003872 |
Inhibitor Class | Benzo-furano-pyrimidine |
Molecule Name in Refrence Article | 77 compound |
IUPAC Name | N-(3-bromophenyl)-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine |
Formula | C16H10BrN3O |
Mass | 340.174 |
Exact Mass | 339.0007246 |
Composition | C (56.49%), H (2.96%), Br (23.49%), N (12.35%), O (4.7%) |
Atom Count | 31 |
PI | 7.54 |
Smiles | c12oc3c(c1ncnc2Nc1cc(Br)ccc1)cccc3 |
InChI | 1S/C16H10BrN3O/c17-10-4-3-5-11(8-10)20-16-15-14(18-9-19-16)12-6-1-2-7-13(12)21-15/h1-9H,(H,18,19,20) |
InChIKey | IBILPMVWJIFCOY-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0003872.png) | Structure Backbone | ![](./frame/f_EGIN0003872.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 | 10639288 |
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 |
5328425
|
Drug Bank Link | - |
ChemSpider Link | 4485590 |
ChEMBL Link | CHEMBL149512 |