Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000185
Inhibitor ClassQuinazoline
Molecule Name in Refrence Article24 compound
IUPAC Name2-{[6-chloro-2-(4-methylphenyl)quinazolin-4-yl]sulfanyl}-N-phenylacetamide
FormulaC23H18ClN3OS
Mass419.927
Exact Mass419.0859106
Composition C (65.78%), H (4.32%), Cl (8.44%), N (10.01%), O (3.81%), S (7.64%)
Atom Count47
PI7.51
Smilesn1c(c2c(nc1c1ccc(cc1)C)ccc(c2)Cl)SCC(=O)Nc1ccccc1
InChI1S/C23H18ClN3OS/c1-15-7-9-16(10-8-15)22-26-20-12-11-17(24)13-19(20)23(27-22)29-14-21(28)25-18-5-3-2-
4-6-18/h2-13H,14H2,1H3,(H,25,28)
InChIKeyYKBYWBQBGMYHNV-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 26351981
ChEMBL Link CHEMBL1242539
 
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