General Property |
Molceule ID (DB) | EGIN0000952 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 32 compound |
IUPAC Name | N-benzyl-7-nitroquinazolin-4-amine |
Formula | C15H12N4O2 |
Mass | 280.2814 |
Exact Mass | 280.0960256 |
Composition | C (64.28%), H (4.32%), N (19.99%), O (11.42%) |
Atom Count | 33 |
PI | 10.12 |
Smiles | c12c(cc(cc1)N(=O)=O)ncnc2NCc1ccccc1 |
InChI | 1S/C15H12N4O2/c20-19(21)12-6-7-13-14(8-12)17-10-18-15(13)16-9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,16,17,
18) |
InChIKey | LFJDGEHGHHXGBE-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000952.png) | Structure Backbone | ![](./frame/f_EGIN0000952.png) |
|
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 | 7658435 |
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 |
5328030
|
Drug Bank Link | - |
ChemSpider Link | 4485197 |
ChEMBL Link | CHEMBL116748 |