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Chemical structure of TDP1 Inhibitor-1

GC65925

TDP1 Inhibitor-1

Also known as 2,3-dimethoxy-13-(2-pyrrolidin-1-ylethoxy)-[1,3]benzodioxolo[5,6-c]phenanthridine

TDP1 Inhibitor-1 is a potent Tyrosyl-DNA Phosphodiesterase 1 (TDP1) inhibitor with an IC50 of 7 μM

ChemicalCAS2248702-80-7MW446.5FormulaC26H26N2O5
CAS number
2248702-80-7
Molecular weight
446.5
Formula
C26H26N2O5
InChIKey
AXNFOXAWCCNLFG-UHFFFAOYSA-N
Catalogue number
GC65925
Brand
GLPBIO
Computed properties PubChem CID 138454772 · XLogP 5.3 · TPSA 62.3 Ų · H-bond donors 0
XLogP
5.3
TPSA
62.3 Ų
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
33

SMILES COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C=C3)OCO5)N=C2OCCN6CCCC6)OC

Computed descriptors from PubChem (CID 138454772), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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