General Property |
Molceule ID (DB) | EGIN0000668 |
Inhibitor Class | Pyrimido-Pyrimidine |
Molecule Name in Refrence Article | 6i compound |
IUPAC Name | 8-N-(3-methylphenyl)-2-N-[2-(pyrrolidin-1-yl)ethyl]-[1,3]diazino[5,4-d]pyrimidine-2,8-diamine |
Formula | C19H23N7 |
Mass | 349.4328 |
Exact Mass | 349.2014938 |
Composition | C (65.31%), H (6.63%), N (28.06%) |
Atom Count | 49 |
PI | 11.28 |
Smiles | c12c(cnc(n1)NCCN1CCCC1)ncnc2Nc1cccc(c1)C |
InChI | 1S/C19H23N7/c1-14-5-4-6-15(11-14)24-18-17-16(22-13-23-18)12-21-19(25-17)20-7-10-26-8-2-3-9-26/h4-6,1
1-13H,2-3,7-10H2,1H3,(H,20,21,25)(H,22,23,24) |
InChIKey | BZXGKFITGKJJKL-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000668.png) | Structure Backbone | ![](./frame/f_EGIN0000668.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 |
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | CHEMBL416307 |