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Chemical structure of 3-Phenyltoxoflavin

GC61582

3-Phenyltoxoflavin

Also known as 1,6-dimethyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione

3-Phenyltoxoflavin, a derivative of Toxoflavin, is an Hsp90 inhibitor, with a Kd of 585 nM for the interaction of Hsp90-TPR2A· 3-Phenyltoxoflavin has anti-cancer activity

ChemicalCAS32502-63-9MW269.26FormulaC13H11N5O2
CAS number
32502-63-9
Molecular weight
269.26
Formula
C13H11N5O2
Solubility
DMSO: 7·14 mg/mL (26·52 mM)
InChIKey
SFOMBJIIZPCRJH-UHFFFAOYSA-N
Catalogue number
GC61582
Brand
GLPBIO
Computed properties PubChem CID 460748 · XLogP 1 · TPSA 77.7 Ų · H-bond donors 0
XLogP
1
TPSA
77.7 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
20

SMILES CN1C2=NC(=O)N(C(=O)C2=NC(=N1)C3=CC=CC=C3)C

Computed descriptors from PubChem (CID 460748), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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