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Chemical structure of Tarlox-TKI

GC36392

Tarlox-TKI

Also listed as Kinase inhibitor-1

Kinase inhibitor-1, the active metabolite of Tarloxotinib, is an irreversible pan-ErbB TKI (Kinase inhibitor-1)

ChemicalCAS2135696-72-7MW461.74FormulaC19H18BrClN6O
CAS number
2135696-72-7
Molecular weight
461.74
Formula
C19H18BrClN6O
Solubility
DMSO: 100 mg/mL (216·57 mM); Water: < 0·1 mg/mL (insoluble)
InChIKey
QBACGOWRJDBXSG-ONEGZZNKSA-N
Catalogue number
GC36392
Brand
GLPBIO
Computed properties PubChem CID 51037658 · XLogP 3.5 · TPSA 83 Ų · H-bond donors 2
XLogP
3.5
TPSA
83 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
28

SMILES CN(C)C/C=C/C(=O)NC1=NC=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)Cl)Br

Computed descriptors from PubChem (CID 51037658), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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