General Property |
Molceule ID (DB) | EGIN0004766 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 14 |
IUPAC Name | N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[2-(methylamino)ethoxy]quinazolin-4-amine |
Formula | C18H18ClFN4O2 |
Mass | 376.813 |
Exact Mass | 376.1102318 |
Composition | C (57.37%), H (4.81%), Cl (9.41%), F (5.04%), N (14.87%), O (8.49%) |
Atom Count | 44 |
PI | 12.78 |
Smiles | c1c(c(cc2c1c(ncn2)Nc1ccc(c(c1)Cl)F)OC)OCCNC |
InChI | 1S/C18H18ClFN4O2/c1-21-5-6-26-17-8-12-15(9-16(17)25-2)22-10-23-18(12)24-11-3-4-14(20)13(19)7-11/h3-4
,7-10,21H,5-6H2,1-2H3,(H,22,23,24) |
InChIKey | MCLWOTRQSAKXBH-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 | 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 |
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Drug Bank Link | - |
ChemSpider Link | 23150416 |
ChEMBL Link | CHEMBL293090 |