General Property |
Molceule ID (DB) | EGIN0000709 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 17 compound |
IUPAC Name | N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine |
Formula | C15H10F3N3 |
Mass | 289.2552 |
Exact Mass | 289.082682 |
Composition | C (62.28%), H (3.48%), F (19.7%), N (14.53%) |
Atom Count | 31 |
PI | 9.82 |
Smiles | c12c(cccc1)ncnc2Nc1cccc(c1)C(F)(F)F |
InChI | 1S/C15H10F3N3/c16-15(17,18)10-4-3-5-11(8-10)21-14-12-6-1-2-7-13(12)19-9-20-14/h1-9H,(H,19,20,21) |
InChIKey | VCOMYMMMFREKQC-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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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 | 7658435 | 8568816 | 8825124 | |
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 |
651672
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Drug Bank Link | - |
ChemSpider Link | 566300 |
ChEMBL Link | CHEMBL92824 |