Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000198
Inhibitor ClassDiphenyl-amine
Molecule Name in Refrence Article16c compound
IUPAC NameN-cyclopropyl-5-[2-({4-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]phenyl}amino)phenyl]-1,3,4-thiadiazol-2-amine
FormulaC22H21N7S2
Mass447.579
Exact Mass447.1299851
Composition C (59.04%), H (4.73%), N (21.91%), S (14.33%)
Atom Count52
PI7.22
Smilesc1c(c(ccc1)c1nnc(s1)NC1CC1)Nc1ccc(cc1)c1nnc(s1)NC1CC1
InChI1S/C22H21N7S2/c1-2-4-18(17(3-1)20-27-29-22(31-20)25-16-11-12-16)23-14-7-5-13(6-8-14)19-26-28-21(30-1
9)24-15-9-10-15/h1-8,15-16,23H,9-12H2,(H,24,28)(H,25,29)
InChIKeyMDOHCICQRGDILY-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
Reference20580136
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
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