General Property |
Molceule ID (DB) | EGIN0001058 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 16j compound |
IUPAC Name | (2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]but-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 | 11.48 |
Smiles | c12c(ccc(c1)NC(=O)/C=C/CN1[C@H](CCC1)COC)ncnc2Nc1cccc(c1)Br |
InChI | 1S/C24H26BrN5O2/c1-32-15-20-7-3-11-30(20)12-4-8-23(31)28-19-9-10-22-21(14-19)24(27-16-26-22)29-18-6-
2-5-17(25)13-18/h2,4-6,8-10,13-14,16,20H,3,7,11-12,15H2,1H3,(H,28,31)(H,26,27,29)/b8-4+/t20-/m1/s1 |
InChIKey | RHVQWSMLJGXEQH-BTZGUFSASA-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 | 11495584 |
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 |
5328976
|
Drug Bank Link | - |
ChemSpider Link | 4486138 |
ChEMBL Link | CHEMBL329122 |