General Property |
Molceule ID (DB) | EGIN0000725 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 22 compound |
IUPAC Name | 4-N-[3-(trifluoromethyl)phenyl]quinazoline-4,7-diamine |
Formula | C15H11F3N4 |
Mass | 304.2698 |
Exact Mass | 304.093581 |
Composition | C (59.21%), H (3.64%), F (18.73%), N (18.41%) |
Atom Count | 33 |
PI | 10.95 |
Smiles | c12c(cc(cc1)N)ncnc2Nc1cccc(c1)C(F)(F)F |
InChI | 1S/C15H11F3N4/c16-15(17,18)9-2-1-3-11(6-9)22-14-12-5-4-10(19)7-13(12)20-8-21-14/h1-8H,19H2,(H,20,21,
22) |
InChIKey | BUWHCUHUJIETCP-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 |
5328195
|
Drug Bank Link | - |
ChemSpider Link | 4485360 |
ChEMBL Link | CHEMBL433205 |