General Property |
Molceule ID (DB) | EGIN0005188 |
Inhibitor Class | Pteridine |
Molecule Name in Refrence Article | 3k |
IUPAC Name | Nâ€{3â€[7â€oxoâ€2â€(phenylamino)â€7,8â€dihydropteridinâ€8â€yl]phenyl}propâ€2â€enamide |
Formula | C21H16N6O2 |
Mass | 384.3907 |
Exact Mass | 384.133473786 |
Composition | C (65.62%), H (4.2%), N (21.86%), O (8.32%) |
Atom Count | 45 |
PI | 6.67 |
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([H])C([H])=C1[H] |
InChI | 1S/C21H16N6O2/c1-2-18(28)24-15-9-6-10-16(11-15)27-19(29)13-22-17-12-23-21(26-20(17)27)25-14-7-4-3-5-
8-14/h2-13H,1H2,(H,24,28)(H,23,25,26) |
InChIKey | CMZKQVFPFYPHOD-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0005188.png) | Structure Backbone | ![](./frame/f_EGIN0005188.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 |
72202999
|
Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |