General Property |
Molceule ID (DB) | EGIN0003840 |
Inhibitor Class | Pyrimido-indole |
Molecule Name in Refrence Article | 45 compound |
IUPAC Name | N-(3-bromophenyl)-9-methyl-9H-pyrimido[4,5-b]indol-4-amine |
Formula | C17H13BrN4 |
Mass | 353.216 |
Exact Mass | 352.0323591 |
Composition | C (57.81%), H (3.71%), Br (22.62%), N (15.86%) |
Atom Count | 35 |
PI | 10.25 |
Smiles | c12c(c(ncn2)Nc2cc(Br)ccc2)c2c(n1C)cccc2 |
InChI | 1S/C17H13BrN4/c1-22-14-8-3-2-7-13(14)15-16(19-10-20-17(15)22)21-12-6-4-5-11(18)9-12/h2-10H,1H3,(H,19
,20,21) |
InChIKey | CNNGEQBPRIKBIC-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0003840.png) | Structure Backbone | ![](./frame/f_EGIN0003840.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 |
5328393
|
Drug Bank Link | - |
ChemSpider Link | 4485558 |
ChEMBL Link | CHEMBL152984 |