Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000179
Inhibitor ClassQuinazoline
Molecule Name in Refrence Article18 compound
IUPAC Name2-{[6-chloro-2-(4-methylphenyl)quinazolin-4-yl]sulfanyl}acetonitrile
FormulaC17H12ClN3S
Mass325.815
Exact Mass325.0440458
Composition C (62.67%), H (3.71%), Cl (10.88%), N (12.9%), S (9.84%)
Atom Count34
PI11.02
Smilesn1c(c2c(nc1c1ccc(cc1)C)ccc(c2)Cl)SCC#N
InChI1S/C17H12ClN3S/c1-11-2-4-12(5-3-11)16-20-15-7-6-13(18)10-14(15)17(21-16)22-9-8-19/h2-7,10H,9H2,1H3
InChIKeyIYTAOWJDLVIVSY-UHFFFAOYSA-N
2D Structure
Structure Backbone
View Structure in JmolClick to view 3 d structure                            Download Mol File
Drug Like PropertyDruglikeliness
Symmetry & GeometrySymmetry And Geometrical Information
Activity & Binding Activity against isoform and covalant binding information
Topological PropertiesDescriptors
Reference20599299
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 26349845
ChEMBL Link CHEMBL1242262
 
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