General Property |
Molceule ID (DB) | EGIN0004318 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 11 compound |
IUPAC Name | N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-2-cyanoacetamide |
Formula | C17H12BrN5O |
Mass | 382.214 |
Exact Mass | 381.0225227 |
Composition | C (53.42%), H (3.16%), Br (20.91%), N (18.32%), O (4.19%) |
Atom Count | 36 |
PI | 7.25 |
Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Br)NC(=O)CC#N |
InChI | 1S/C17H12BrN5O/c18-11-2-1-3-12(8-11)23-17-14-9-13(22-16(24)6-7-19)4-5-15(14)20-10-21-17/h1-5,8-10H,6
H2,(H,22,24)(H,20,21,23) |
InChIKey | HSPDFXQOPBEBRB-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004318.png) | Structure Backbone | ![](./frame/f_EGIN0004318.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 | 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 | 24644953 |
ChEMBL Link | CHEMBL592617 |