General Property |
Molceule ID (DB) | EGIN0000908 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 19 compound |
IUPAC Name | ethyl (2E)-3-({4-[(3-bromophenyl)amino]quinazolin-6-yl}carbamoyl)prop-2-enoate |
Formula | C20H17BrN4O3 |
Mass | 441.278 |
Exact Mass | 440.0484031 |
Composition | C (54.44%), H (3.88%), Br (18.11%), N (12.7%), O (10.88%) |
Atom Count | 45 |
PI | 9.07 |
Smiles | n1cnc2c(c1Nc1cccc(c1)Br)cc(cc2)NC(=O)/C=C/C(=O)OCC |
InChI | 1S/C20H17BrN4O3/c1-2-28-19(27)9-8-18(26)24-15-6-7-17-16(11-15)20(23-12-22-17)25-14-5-3-4-13(21)10-14
/h3-12H,2H2,1H3,(H,24,26)(H,22,23,25)/b9-8+ |
InChIKey | VWESXNFYLQAEJY-CMDGGOBGSA-N |
2D Structure | ![](./image/EGIN0000908.png) | Structure Backbone | ![](./frame/f_EGIN0000908.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 | 11462982 |
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 |
5329080
|
Drug Bank Link | - |
ChemSpider Link | 4486242 |
ChEMBL Link | CHEMBL344486 |