General Property |
Molceule ID (DB) | EGIN0005183 |
Inhibitor Class | Pteridine |
Molecule Name in Refrence Article | 3e |
IUPAC Name | 4â€{2â€[(4â€methoxyphenyl)amino]â€7â€oxoâ€7,8â€dihydropteridinâ€8â€yl}phenyl propâ€2â€enoate |
Formula | C22H17N5O4 |
Mass | 415.4015 |
Exact Mass | 415.128054057 |
Composition | C (63.61%), H (4.12%), N (16.86%), O (15.41%) |
Atom Count | 48 |
PI | 6.96 |
Smiles | [H]C([H])=C([H])C(=O)OC1=C([H])C([H])=C(C([H])=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/C22H17N5O4/c1-3-20(29)31-17-10-6-15(7-11-17)27-19(28)13-23-18-12-24-22(26-21(18)27)25-14-4-8-16(3
0-2)9-5-14/h3-13H,1H2,2H3,(H,24,25,26) |
InChIKey | UFEYPVTVHUTYJF-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0005183.png) | Structure Backbone | ![](./frame/f_EGIN0005183.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 |
72203001
|
Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |