General Property |
Molceule ID (DB) | EGIN0005196 |
Inhibitor Class | Pteridine |
Molecule Name in Refrence Article | 3s |
IUPAC Name | Nâ€[3â€(7â€oxoâ€2â€{[4â€(pyrrolidinâ€1â€yl)phenyl]amino}â€7,8â€dihydropteridinâ€8â€yl)phenyl]propâ€2â€enamide |
Formula | C25H23N7O2 |
Mass | 453.4958 |
Exact Mass | 453.191323015 |
Composition | C (66.21%), H (5.11%), N (21.62%), O (7.06%) |
Atom Count | 57 |
PI | 10 |
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])C1([H])[H] |
InChI | 1S/C25H23N7O2/c1-2-22(33)28-18-6-5-7-20(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-8-10-19(1
1-9-17)31-12-3-4-13-31/h2,5-11,14-16H,1,3-4,12-13H2,(H,28,33)(H,27,29,30) |
InChIKey | HKNZEEWNPHTWIR-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0005196.png) | Structure Backbone | ![](./frame/f_EGIN0005196.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 |
72202867
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |