General Property |
Molceule ID (DB) | EGIN0000912 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 23 compound |
IUPAC Name | N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-N-[3-(morpholin-4-yl)propyl]prop-2-enamide |
Formula | C24H26BrN5O2 |
Mass | 496.4 |
Exact Mass | 495.1269877 |
Composition | C (58.07%), H (5.28%), Br (16.1%), N (14.11%), O (6.45%) |
Atom Count | 58 |
PI | 11.19 |
Smiles | n1cnc2c(c1Nc1cccc(c1)Br)cc(cc2)N(C(=O)C=C)CCCN1CCOCC1 |
InChI | 1S/C24H26BrN5O2/c1-2-23(31)30(10-4-9-29-11-13-32-14-12-29)20-7-8-22-21(16-20)24(27-17-26-22)28-19-6-
3-5-18(25)15-19/h2-3,5-8,15-17H,1,4,9-14H2,(H,26,27,28) |
InChIKey | FQAVYQDBRCNTBT-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
|
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 |
5329084
|
Drug Bank Link | - |
ChemSpider Link | 4486246 |
ChEMBL Link | CHEMBL139307 |