General Property |
Molceule ID (DB) | EGIN0004726 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 19 |
IUPAC Name | N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[2-(morpholin-4-yl)ethoxy]quinazolin-4-amine |
Formula | C21H22ClFN4O3 |
Mass | 432.876 |
Exact Mass | 432.1364465 |
Composition | C (58.27%), H (5.12%), Cl (8.19%), F (4.39%), N (12.94%), O (11.09%) |
Atom Count | 52 |
PI | 11.15 |
Smiles | c1c(c(cc2c1c(ncn2)Nc1ccc(c(c1)Cl)F)OC)OCCN1CCOCC1 |
InChI | 1S/C21H22ClFN4O3/c1-28-19-12-18-15(11-20(19)30-9-6-27-4-7-29-8-5-27)21(25-13-24-18)26-14-2-3-17(23)1
6(22)10-14/h2-3,10-13H,4-9H2,1H3,(H,24,25,26) |
InChIKey | STNFCUFBMSVMBL-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004726.png) | Structure Backbone | ![](./frame/f_EGIN0004726.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 | 11459659 |
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 |
10159951
|
Drug Bank Link | - |
ChemSpider Link | 8335459 |
ChEMBL Link | CHEMBL14699 |