General Property |
Molceule ID (DB) | EGIN0005191 |
Inhibitor Class | Pteridine |
Molecule Name in Refrence Article | 3n |
IUPAC Name | Nâ€[4â€(2â€{[4â€(morpholinâ€4â€yl)phenyl]amino}â€7â€oxoâ€7,8â€dihydropteridinâ€8â€yl)phenyl]propâ€2â€enamide |
Formula | C25H23N7O3 |
Mass | 469.4952 |
Exact Mass | 469.186237637 |
Composition | C (63.96%), H (4.94%), N (20.88%), O (10.22%) |
Atom Count | 58 |
PI | 8.19 |
Smiles | [H]C([H])=C([H])C(=O)N([H])C1=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(C([H])=C1[H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H] |
InChI | 1S/C25H23N7O3/c1-2-22(33)28-17-5-9-20(10-6-17)32-23(34)16-26-21-15-27-25(30-24(21)32)29-18-3-7-19(8-
4-18)31-11-13-35-14-12-31/h2-10,15-16H,1,11-14H2,(H,28,33)(H,27,29,30) |
InChIKey | CHFSRPYBDAIBQR-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0005191.png) | Structure Backbone | ![](./frame/f_EGIN0005191.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 |
72713176
|
Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |