General Property |
Molceule ID (DB) | EGIN0000955 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 35 compound |
IUPAC Name | N-benzyl-8-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 | 9.7 |
Smiles | c12c(c(ccc1)N(=O)=O)ncnc2NCc1ccccc1 |
InChI | 1S/C15H12N4O2/c20-19(21)13-8-4-7-12-14(13)17-10-18-15(12)16-9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,16,17,
18) |
InChIKey | YPNFBKKXWWCFEI-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000955.png) | Structure Backbone | ![](./frame/f_EGIN0000955.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 |
5328033
|
Drug Bank Link | - |
ChemSpider Link | 4485200 |
ChEMBL Link | CHEMBL117696 |