General Property |
Molceule ID (DB) | EGIN0000234 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 3c compound |
IUPAC Name | N-{4-[(3-methylphenyl)amino]quinazolin-7-yl}prop-2-enamide |
Formula | C18H16N4O |
Mass | 304.3458 |
Exact Mass | 304.1324112 |
Composition | C (71.04%), H (5.3%), N (18.41%), O (5.26%) |
Atom Count | 39 |
PI | 8.79 |
Smiles | c12c(cc(cc1)NC(=O)C=C)ncnc2Nc1cccc(c1)C |
InChI | 1S/C18H16N4O/c1-3-17(23)21-14-7-8-15-16(10-14)19-11-20-18(15)22-13-6-4-5-12(2)9-13/h3-11H,1H2,2H3,(H
,21,23)(H,19,20,22) |
InChIKey | FAGJCAQBJKSOOS-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000234.png) | Structure Backbone | ![](./frame/f_EGIN0000234.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 | 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 |
10494722
|
Drug Bank Link | - |
ChemSpider Link | 8670123 |
ChEMBL Link | CHEMBL297968 |