General Property |
Molceule ID (DB) | EGIN0001179 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 7 compound |
IUPAC Name | N-{4-[(3-bromophenyl)amino]-7-[3-(4-methylpiperidin-1-yl)propoxy]quinazolin-6-yl}prop-2-enamide |
Formula | C26H30BrN5O2 |
Mass | 524.453 |
Exact Mass | 523.1582879 |
Composition | C (59.54%), H (5.77%), Br (15.24%), N (13.35%), O (6.1%) |
Atom Count | 64 |
PI | 10.89 |
Smiles | c12cc(c(cc1ncnc2Nc1cc(ccc1)Br)OCCCN1CC[C@H](CC1)C)NC(=O)C=C |
InChI | 1S/C26H30BrN5O2/c1-3-25(33)31-23-15-21-22(28-17-29-26(21)30-20-7-4-6-19(27)14-20)16-24(23)34-13-5-10
-32-11-8-18(2)9-12-32/h3-4,6-7,14-18H,1,5,8-13H2,2H3,(H,31,33)(H,28,29,30) |
InChIKey | BXCABSZEPMAAON-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 | 10956451 |
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 |
-
|
Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |