General Property |
Molceule ID (DB) | EGIN0005189 |
Inhibitor Class | Pteridine |
Molecule Name in Refrence Article | 3l |
IUPAC Name | Nâ€(4â€{2â€[(4â€chlorophenyl)amino]â€7â€oxoâ€7,8â€dihydropteridinâ€8â€yl}phenyl)propâ€2â€enamide |
Formula | C21H15ClN6O2 |
Mass | 418.836 |
Exact Mass | 418.094501461 |
Composition | C (60.22%), H (3.61%), Cl (8.46%), N (20.07%), O (7.64%) |
Atom Count | 45 |
PI | 6.57 |
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(Cl)C([H])=C1[H] |
InChI | 1S/C21H15ClN6O2/c1-2-18(29)25-14-7-9-16(10-8-14)28-19(30)12-23-17-11-24-21(27-20(17)28)26-15-5-3-13(
22)4-6-15/h2-12H,1H2,(H,25,29)(H,24,26,27) |
InChIKey | YQVNLEYHEXIBNV-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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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 |
72713175
|
Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |