General Property |
Molceule ID (DB) | EGIN0005201 |
Inhibitor Class | Pteridine |
Molecule Name in Refrence Article | 3x |
IUPAC Name | Nâ€[3â€(2â€{[2â€methoxyâ€4â€(4â€methylpiperazinâ€1â€yl)phenyl]amino}â€7â€oxoâ€7,8â€dihydropteridinâ€8â€yl)phenyl]propâ€2â€enamide |
Formula | C27H28N8O3 |
Mass | 512.563 |
Exact Mass | 512.228436802 |
Composition | C (63.27%), H (5.51%), N (21.86%), O (9.36%) |
Atom Count | 66 |
PI | 10.45 |
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])=C1OC([H])([H])[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H] |
InChI | 1S/C27H28N8O3/c1-4-24(36)30-18-6-5-7-20(14-18)35-25(37)17-28-22-16-29-27(32-26(22)35)31-21-9-8-19(15
-23(21)38-3)34-12-10-33(2)11-13-34/h4-9,14-17H,1,10-13H2,2-3H3,(H,30,36)(H,29,31,32) |
InChIKey | YJAJTLZIWHYGPF-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0005201.png) | Structure Backbone | ![](./frame/f_EGIN0005201.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 |
72202732
|
Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |