General Property |
Molceule ID (DB) | EGIN0000660 |
Inhibitor Class | Pyrimido-Pyrimidine |
Molecule Name in Refrence Article | 5h compound |
IUPAC Name | 8-N-(3-bromophenyl)-2-N-[3-(morpholin-4-yl)propyl]-[1,3]diazino[5,4-d]pyrimidine-2,8-diamine |
Formula | C19H22BrN7O |
Mass | 444.328 |
Exact Mass | 443.106921 |
Composition | C (51.36%), H (4.99%), Br (17.98%), N (22.07%), O (3.6%) |
Atom Count | 50 |
PI | 10.22 |
Smiles | c12c(cnc(n1)NCCCN1CCOCC1)ncnc2Nc1cccc(c1)Br |
InChI | 1S/C19H22BrN7O/c20-14-3-1-4-15(11-14)25-18-17-16(23-13-24-18)12-22-19(26-17)21-5-2-6-27-7-9-28-10-8-
27/h1,3-4,11-13H,2,5-10H2,(H,21,22,26)(H,23,24,25) |
InChIKey | AKSMEOTWWFYYSQ-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000660.png) | Structure Backbone | ![](./frame/f_EGIN0000660.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 | 9191958 |
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 |
5328341
|
Drug Bank Link | - |
ChemSpider Link | 4485506 |
ChEMBL Link | CHEMBL417420 |