General Property |
Molceule ID (DB) | EGIN0005187 |
Inhibitor Class | Pteridine |
Molecule Name in Refrence Article | 3i |
IUPAC Name | 2E)â€4â€(dimethylamino)â€Nâ€{3â€[7â€oxoâ€2â€(phenylamino)â€7,8â€dihydropteridinâ€8â€yl]phenyl}butâ€2â€enamide |
Formula | C24H23N7O2 |
Mass | 441.4851 |
Exact Mass | 441.191323015 |
Composition | C (65.29%), H (5.25%), N (22.21%), O (7.25%) |
Atom Count | 56 |
PI | 10.96 |
Smiles | [H]N(C(=O)C([H])=C(/[H])C([H])([H])N(C([H])([H])[H])C([H])([H])[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([H])C([H])=C1[H] |
InChI | 1S/C24H23N7O2/c1-30(2)13-7-12-21(32)27-18-10-6-11-19(14-18)31-22(33)16-25-20-15-26-24(29-23(20)31)28
-17-8-4-3-5-9-17/h3-12,14-16H,13H2,1-2H3,(H,27,32)(H,26,28,29)/b12-7+ |
InChIKey | DYLDTESCOKKPMG-KPKJPENVSA-N |
2D Structure | ![](./image/EGIN0005187.png) | Structure Backbone | ![](./frame/f_EGIN0005187.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 |
72203134
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |