General Property |
Molceule ID (DB) | EGIN0001731 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 11 Compound |
IUPAC Name | N-(5-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 | 10.14 |
Smiles | c12c(cc(c(c1)OCCCN1CCOCC1)OC)ncnc2Nc1c(ccc(c1)Cl)F |
InChI | 1S/C22H24ClFN4O3/c1-29-20-13-18-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-18)27-19-11-15(23
)3-4-17(19)24/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) |
InChIKey | DUCBKFANLUPMGX-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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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 | 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 |
44416407
|
Drug Bank Link | - |
ChemSpider Link | 23275806 |
ChEMBL Link | CHEMBL384699 |