General Property |
Molceule ID (DB) | EGIN0005198 |
Inhibitor Class | Pteridine |
Molecule Name in Refrence Article | 3u |
IUPAC Name | Nâ€(3â€{2â€[(4â€acetamidophenyl)amino]â€7â€oxoâ€7,8â€dihydropteridinâ€8â€yl}phenyl)propâ€2â€enamide |
Formula | C23H19N7O3 |
Mass | 441.4421 |
Exact Mass | 441.154937509 |
Composition | C (62.58%), H (4.34%), N (22.21%), O (10.87%) |
Atom Count | 52 |
PI | 6.66 |
Smiles | [H]C([H])=C([H])C(=O)N([H])C1=C([H])C([H])=C([H])C(=C1[H])N1C(=O)C([H])=NC2=C1N=C(N=C2[H])N([H])C1=C([H])C([H])=C(N([H])C(=O)C([H])([H])[H])C([H])=C1[H] |
InChI | 1S/C23H19N7O3/c1-3-20(32)27-17-5-4-6-18(11-17)30-21(33)13-24-19-12-25-23(29-22(19)30)28-16-9-7-15(8-
10-16)26-14(2)31/h3-13H,1H2,2H3,(H,26,31)(H,27,32)(H,25,28,29) |
InChIKey | JIJDVLXBQGQRQM-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0005198.png) | Structure Backbone | ![](./frame/f_EGIN0005198.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 | 24053674 |
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 |
72202735
|
Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |