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EGFR Inhibitor

CAT: 0024-sc-203934Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-203934Size:1 mg
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CAS Number
879127-07-8

Chemical Information

EGFR inhibitor

Epidermal Growth Factor Receptor Tyrosine Kinase Inhibitor is any agent that inhibits the activity of the epidermal growth factor receptor (EGFR) tyrosine kinase.

CAS Number879127-07-8
PubChem CID9549299
IUPAC NameN-[3-[[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
Molecular FormulaC21H18F3N5O
Molecular Weight413.4
XLogP4.5
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity585
SMILES
C1CC1C(=O)NC2=CC=CC(=C2)NC3=NC=NC(=C3)NC4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C21H18F3N5O/c22-21(23,24)14-3-1-4-15(9-14)27-18-11-19(26-12-25-18)28-16-5-2-6-17(10-16)29-20(30)13-7-8-13/h1-6,9-13H,7-8H2,(H,29,30)(H2,25,26,27,28)
InChIKey
YOHYSYJDKVYCJI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of EGFR inhibitor
CAS: 879127-07-8
CID: 9549299
Formula: C21H18F3N5O
MW: 413.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight413.4
XLogP34.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass413.14634470
Monoisotopic Mass413.14634470
Topological Polar Surface Area78.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity585
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS387991-01EGFR Inhibitor
A13673-100EGFR-IN-12 (EGFR Inhibitor) 100mg
A13673-50EGFR-IN-12 (EGFR Inhibitor) 50mg
A13673-5EGFR-IN-12 (EGFR Inhibitor) 5mg
A13673-500EGFR-IN-12 (EGFR Inhibitor) 500mg
A13673-25EGFR-IN-12 (EGFR Inhibitor) 25mg
A13673-10EGFR-IN-12 (EGFR Inhibitor) 10mg
A13673-1EGFR-IN-12 (EGFR Inhibitor) 1mg
HY-13984-01Mutant EGFR inhibitor
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