General Property |
Molceule ID (DB) | EGIN0000239 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 5d compound |
IUPAC Name | N-(4-{[3-(trifluoromethyl)phenyl]amino}quinazolin-6-yl)prop-2-enamide |
Formula | C18H13F3N4O |
Mass | 358.3172 |
Exact Mass | 358.1041457 |
Composition | C (60.34%), H (3.66%), F (15.91%), N (15.64%), O (4.47%) |
Atom Count | 39 |
PI | 9.17 |
Smiles | c12c(ccc(c1)NC(=O)C=C)ncnc2Nc1cccc(c1)C(F)(F)F |
InChI | 1S/C18H13F3N4O/c1-2-16(26)24-13-6-7-15-14(9-13)17(23-10-22-15)25-12-5-3-4-11(8-12)18(19,20)21/h2-10H
,1H2,(H,24,26)(H,22,23,25) |
InChIKey | LSYGGBSRDNYACG-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000239.png) | Structure Backbone | ![](./frame/f_EGIN0000239.png) |
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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 | 10346932 |
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 |
10522352
|
Drug Bank Link | - |
ChemSpider Link | 8697748 |
ChEMBL Link | CHEMBL53690 |