General Property |
Molceule ID (DB) | EGIN0005180 |
Inhibitor Class | Pteridine |
Molecule Name in Refrence Article | 2f |
IUPAC Name | Nâ€(4â€{[8â€(4â€methoxyphenyl)â€7â€oxoâ€7,8â€dihydropteridinâ€2â€yl]amino}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 | 6.69 |
Smiles | [H]C([H])=C([H])C(=O)N([H])C1=C([H])C([H])=C(N([H])C2=NC3=C(N=C([H])C(=O)N3C3=C([H])C([H])=C(OC([H])([H])[H])C([H])=C3[H])C([H])=N2)C([H])=C1[H] |
InChI | 1S/C22H18N6O3/c1-3-19(29)25-14-4-6-15(7-5-14)26-22-24-12-18-21(27-22)28(20(30)13-23-18)16-8-10-17(31
-2)11-9-16/h3-13H,1H2,2H3,(H,25,29)(H,24,26,27) |
InChIKey | YRFYHYFKPSFNSZ-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0005180.png) | Structure Backbone | ![](./frame/f_EGIN0005180.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 |
72202733
|
Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |