General Property |
Molceule ID (DB) | EGIN0005193 |
Inhibitor Class | Pteridine |
Molecule Name in Refrence Article | 3p |
IUPAC Name | Nâ€[4â€(2â€{[4â€(4â€methylpiperazinâ€1â€yl)phenyl]amino}â€7â€oxoâ€7,8â€dihydropteridinâ€8â€yl)phenyl]propâ€2â€enamide |
Formula | C26H26N8O2 |
Mass | 482.537 |
Exact Mass | 482.217872116 |
Composition | C (64.72%), H (5.43%), N (23.22%), O (6.63%) |
Atom Count | 62 |
PI | 11.04 |
Smiles | [H]C([H])=C([H])C(=O)N([H])C1=C([H])C([H])=C(C([H])=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])N(C([H])([H])[H])C([H])([H])C1([H])[H] |
InChI | 1S/C26H26N8O2/c1-3-23(35)29-18-6-10-21(11-7-18)34-24(36)17-27-22-16-28-26(31-25(22)34)30-19-4-8-20(9
-5-19)33-14-12-32(2)13-15-33/h3-11,16-17H,1,12-15H2,2H3,(H,29,35)(H,28,30,31) |
InChIKey | DRGNKFXIAXKCCX-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0005193.png) | Structure Backbone | ![](./frame/f_EGIN0005193.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 |
72203004
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |