General Property |
Molceule ID (DB) | EGIN0000722 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 19 compound |
IUPAC Name | 4-N-(3-chlorophenyl)quinazoline-4,7-diamine |
Formula | C14H11ClN4 |
Mass | 270.717 |
Exact Mass | 270.0672241 |
Composition | C (62.11%), H (4.1%), Cl (13.1%), N (20.7%) |
Atom Count | 30 |
PI | 10.93 |
Smiles | c12c(cc(cc1)N)ncnc2Nc1cccc(c1)Cl |
InChI | 1S/C14H11ClN4/c15-9-2-1-3-11(6-9)19-14-12-5-4-10(16)7-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19) |
InChIKey | SHJIAUOHYKFYCU-UHFFFAOYSA-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 | 8568816 |
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 |
5328193
|
Drug Bank Link | - |
ChemSpider Link | 4485358 |
ChEMBL Link | CHEMBL328955 |