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Chemical structure of HDS 029

GC15674

HDS 029

Also known as N-[4-(3-chloro-4-fluoroanilino)pyrido[3,4-d]pyrimidin-6-yl]but-2-ynamide

HDS 029 (compound 29) is a potent tyrosine kinase inhibitor with IC50s of 0·3, 1·1, 0·5, 2·5, 24 nM for erbB1, erbB2, erbB4, EGF, HER, respectively

ChemicalCAS881001-19-0MW355.76FormulaC17H11ClFN5O
CAS number
881001-19-0
Molecular weight
355.76
Formula
C17H11ClFN5O
Solubility
Soluble in DMSO > 10 mM
InChIKey
DLPSDPPZXRJQOY-UHFFFAOYSA-N
Catalogue number
GC15674
Brand
GLPBIO
Computed properties PubChem CID 11566580 · XLogP 3.6 · TPSA 79.8 Ų · H-bond donors 2
XLogP
3.6
TPSA
79.8 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
25

SMILES CC#CC(=O)NC1=NC=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl

Computed descriptors from PubChem (CID 11566580), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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