General Property |
Molceule ID (DB) | EGIN0000047 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 36 compound |
IUPAC Name | 3-[({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)(methyl)amino]-1-(2-methoxyethyl)azetidine-3-carboxamide |
Formula | C24H28ClFN6O3 |
Mass | 502.969 |
Exact Mass | 502.1895447 |
Composition | C (57.31%), H (5.61%), Cl (7.05%), F (3.78%), N (16.71%), O (9.54%) |
Atom Count | 63 |
PI | 10.05 |
Smiles | C1(CN(C1)CCOC)(N(Cc1c(cc2c(c1)c(ncn2)Nc1cccc(c1F)Cl)OC)C)C(=O)N |
InChI | 1S/C24H28ClFN6O3/c1-31(24(23(27)33)12-32(13-24)7-8-34-2)11-15-9-16-19(10-20(15)35-3)28-14-29-22(16)3
0-18-6-4-5-17(25)21(18)26/h4-6,9-10,14H,7-8,11-13H2,1-3H3,(H2,27,33)(H,28,29,30) |
InChIKey | IKXPVMNZZLUFCI-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000047.png) | Structure Backbone | ![](./frame/f_EGIN0000047.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 | 16516473 |
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 |
11526238
|
Drug Bank Link | - |
ChemSpider Link | 9701024 |
ChEMBL Link | CHEMBL207815 |