Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004845
Inhibitor ClassUnknown
Molecule Name in Refrence Article6
IUPAC NameN-(3-{[(2S)-2,3-dihydroxypropyl]sulfanyl}-5-nitrophenyl)-2-(4-fluorophenyl)acetamide
FormulaC17H17FN2O5S
Mass380.391
Exact Mass380.0842206
Composition C (53.68%), H (4.5%), F (4.99%), N (7.36%), O (21.03%), S (8.43%)
Atom Count43
PI5.08
Smilesc1c(ccc(c1)CC(=O)Nc1cc(cc(c1)SC[C@H](CO)O)[N+](=O)[O-])F
InChI1S/C17H17FN2O5S/c18-12-3-1-11(2-4-12)5-17(23)19-13-6-14(20(24)25)8-16(7-13)26-10-15(22)9-21/h1-4,6-8
,15,21-22H,5,9-10H2,(H,19,23)/t15-/m0/s1
InChIKeyIFYGYPZZXIKBMR-HNNXBMFYSA-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
Reference22595177
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 40433957
Drug Bank Link -
ChemSpider Link 28509014
ChEMBL Link -
 
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