Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004841
Inhibitor ClassAnilino-pyrimidine
Molecule Name in Refrence Article6 compound
IUPAC Name(2Z)-4-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)-6-methylpyrimidin-5-yl]-2-fluoro-N-[2-(pyrrolidin-1-yl)ethyl]but-2-enamide
FormulaC28H30ClF2N5O2
Mass542.02
Exact Mass541.2056093
Composition C (62.05%), H (5.58%), Cl (6.54%), F (7.01%), N (12.92%), O (5.9%)
Atom Count68
PI10.08
Smilesc1(c(c(ncn1)C)C/C=C(F)/C(=O)NCCN1CCCC1)Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl
InChI1S/C28H30ClF2N5O2/c1-19-23(8-9-25(31)28(37)32-11-14-36-12-2-3-13-36)27(34-18-33-19)35-22-7-10-26(24(
29)16-22)38-17-20-5-4-6-21(30)15-20/h4-7,9-10,15-16,18H,2-3,8,11-14,17H2,1H3,(H,32,37)(H,33,34,35)/b
25-9-
InChIKeyHQPAPZHZFJHDHZ-MWYAZZEHSA-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
Reference22101132
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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