General Property |
Molceule ID (DB) | EGIN0001561 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 1 compound |
IUPAC Name | N-[3,5-bis(trifluoromethyl)phenyl]quinazolin-4-amine |
Formula | C16H9F6N3 |
Mass | 357.2532 |
Exact Mass | 357.0700665 |
Composition | C (53.79%), H (2.54%), F (31.91%), N (11.76%) |
Atom Count | 34 |
PI | 9.6 |
Smiles | c12c(cccc1)ncnc2Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F |
InChI | 1S/C16H9F6N3/c17-15(18,19)9-5-10(16(20,21)22)7-11(6-9)25-14-12-3-1-2-4-13(12)23-8-24-14/h1-8H,(H,23,
24,25) |
InChIKey | PLDKLHMHFREGNY-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001561.png) | Structure Backbone | ![](./frame/f_EGIN0001561.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 | 18702009 |
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 |
11451154
|
Drug Bank Link | - |
ChemSpider Link | 9626006 |
ChEMBL Link | - |