General Property |
Molceule ID (DB) | EGIN0001730 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 10 Compound |
IUPAC Name | N-(3-chloro-2-fluorophenyl)-7-methoxy-6-[3-(morpholin-4-yl)propoxy]quinazolin-4-amine |
Formula | C22H24ClFN4O3 |
Mass | 446.902 |
Exact Mass | 446.1520966 |
Composition | C (59.13%), H (5.41%), Cl (7.93%), F (4.25%), N (12.54%), O (10.74%) |
Atom Count | 55 |
PI | 10.19 |
Smiles | c12c(cc(c(c1)OCCCN1CCOCC1)OC)ncnc2Nc1cccc(c1F)Cl |
InChI | 1S/C22H24ClFN4O3/c1-29-19-13-18-15(12-20(19)31-9-3-6-28-7-10-30-11-8-28)22(26-14-25-18)27-17-5-2-4-1
6(23)21(17)24/h2,4-5,12-14H,3,6-11H2,1H3,(H,25,26,27) |
InChIKey | BIFFYWVZRGCPLC-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001730.png) | Structure Backbone | ![](./frame/f_EGIN0001730.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 | 16806916 |
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 |
44416610
|
Drug Bank Link | - |
ChemSpider Link | 23276031 |
ChEMBL Link | CHEMBL385479 |