General Property |
Molceule ID (DB) | EGIN0004322 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 15 compound |
IUPAC Name | ethyl (2S,3S)-3-[(naphthalen-2-yl)carbamoyl]oxirane-2-carboxylate |
Formula | C16H15NO4 |
Mass | 285.2946 |
Exact Mass | 285.100108 |
Composition | C (67.36%), H (5.3%), N (4.91%), O (22.43%) |
Atom Count | 36 |
PI | 2.95 |
Smiles | [C@H]1([C@H](O1)C(=O)Nc1ccc2c(c1)cccc2)C(=O)OCC |
InChI | 1S/C16H15NO4/c1-2-20-16(19)14-13(21-14)15(18)17-12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13-14H,2H2,1H3,(H,
17,18)/t13-,14-/m0/s1 |
InChIKey | BZZSURQBWUIAHM-KBPBESRZSA-N |
2D Structure | | Structure Backbone | |
|
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 | 20151670 |
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 |
-
|
Drug Bank Link | - |
ChemSpider Link | 24649543 |
ChEMBL Link | CHEMBL599251 |