General Property |
Molceule ID (DB) | EGIN0005195 |
Inhibitor Class | Pteridine |
Molecule Name in Refrence Article | 3r |
IUPAC Name | Nâ€[3â€(7â€oxoâ€2â€{[4â€(piperidinâ€1â€yl)phenyl]amino}â€7,8â€dihydropteridinâ€8â€yl)phenyl]propâ€2â€enamide |
Formula | C26H25N7O2 |
Mass | 467.5224 |
Exact Mass | 467.206973079 |
Composition | C (66.79%), H (5.39%), N (20.97%), O (6.84%) |
Atom Count | 60 |
PI | 10.2 |
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])N1C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H] |
InChI | 1S/C26H25N7O2/c1-2-23(34)29-19-7-6-8-21(15-19)33-24(35)17-27-22-16-28-26(31-25(22)33)30-18-9-11-20(1
2-10-18)32-13-4-3-5-14-32/h2,6-12,15-17H,1,3-5,13-14H2,(H,29,34)(H,28,30,31) |
InChIKey | VJFSMDWEMFOWDK-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0005195.png) | Structure Backbone | ![](./frame/f_EGIN0005195.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 |
72713177
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |