General Property |
Molceule ID (DB) | EGIN0004990 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 5 |
IUPAC Name | 6â€methylâ€Nâ€[3â€(trifluoromethyl)phenyl]quinazolinâ€4â€amine |
Formula | C16H12F3N3 |
Mass | 303.2818 |
Exact Mass | 303.098332014 |
Composition | C (63.36%), H (3.99%), F (18.79%), N (13.86%) |
Atom Count | 34 |
PI | 10.01 |
Smiles | [H]N(C1=NC([H])=NC2=C([H])C([H])=C(C([H])=C12)C([H])([H])[H])C1=C([H])C([H])=C([H])C(=C1[H])C(F)(F)F |
InChI | 1S/C16H12F3N3/c1-10-5-6-14-13(7-10)15(21-9-20-14)22-12-4-2-3-11(8-12)16(17,18)19/h2-9H,1H3,(H,20,21,
22) |
InChIKey | NFEUTOJRUZZNQS-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004990.png) | Structure Backbone | ![](./frame/f_EGIN0004990.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 | 22607878 |
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 |
721010
|
Drug Bank Link | - |
ChemSpider Link | 629391 |
ChEMBL Link | CHEMBL602584 |