General Property |
Molceule ID (DB) | EGIN0003862 |
Inhibitor Class | Benzo-thieno-pyrimidine |
Molecule Name in Refrence Article | 67 compound |
IUPAC Name | 6-N-(3-bromophenyl)-12-N-methyl-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene-6,12-diamine |
Formula | C17H13BrN4S |
Mass | 385.281 |
Exact Mass | 384.0044298 |
Composition | C (53%), H (3.4%), Br (20.74%), N (14.54%), S (8.32%) |
Atom Count | 36 |
PI | 9.46 |
Smiles | c12sc3c(c1ncnc2Nc1cc(Br)ccc1)cc(NC)cc3 |
InChI | 1S/C17H13BrN4S/c1-19-11-5-6-14-13(8-11)15-16(23-14)17(21-9-20-15)22-12-4-2-3-10(18)7-12/h2-9,19H,1H3
,(H,20,21,22) |
InChIKey | NRNGTBQZEILVIB-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0003862.png) | Structure Backbone | ![](./frame/f_EGIN0003862.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 | 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 |
5328415
|
Drug Bank Link | - |
ChemSpider Link | 4485580 |
ChEMBL Link | CHEMBL1184611 |