General Property |
Molceule ID (DB) | EGIN0005182 |
Inhibitor Class | Pteridine |
Molecule Name in Refrence Article | 3b |
IUPAC Name | Nâ€(3â€{2â€[(4â€methoxyphenyl)amino]â€7â€oxoâ€7,8â€dihydropteridinâ€8â€yl}phenyl)propâ€2â€enamide |
Formula | C22H18N6O3 |
Mass | 414.4167 |
Exact Mass | 414.144038472 |
Composition | C (63.76%), H (4.38%), N (20.28%), O (11.58%) |
Atom Count | 49 |
PI | 6.88 |
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(OC([H])([H])[H])C([H])=C1[H] |
InChI | 1S/C19H16N6O2/c1-27-15-8-4-13(5-9-15)23-19-22-10-16-18(24-19)25(17(26)11-21-16)14-6-2-12(20)3-7-14/h
2-11H,20H2,1H3,(H,22,23,24) |
InChIKey | HJHJLSAFDLUSPN-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0005182.png) | Structure Backbone | ![](./frame/f_EGIN0005182.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 |
72712977
|
Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |