General Property |
Molceule ID (DB) | EGIN0005197 |
Inhibitor Class | Pteridine |
Molecule Name in Refrence Article | 3t |
IUPAC Name | Nâ€[3â€(2â€{[4â€(diethylamino)phenyl]amino}â€7â€oxoâ€7,8â€dihydropteridinâ€8â€yl)phenyl]propâ€2â€enamide |
Formula | C25H25N7O2 |
Mass | 455.5117 |
Exact Mass | 455.206973079 |
Composition | C (65.92%), H (5.53%), N (21.52%), O (7.02%) |
Atom Count | 59 |
PI | 10.36 |
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(C([H])=C1[H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H] |
InChI | 1S/C25H25N7O2/c1-4-22(33)28-18-8-7-9-20(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-10-12-19(
13-11-17)31(5-2)6-3/h4,7-16H,1,5-6H2,2-3H3,(H,28,33)(H,27,29,30) |
InChIKey | BIUVCZQWTOSTRS-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0005197.png) | Structure Backbone | ![](./frame/f_EGIN0005197.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 |
72202868
|
Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |