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D-MPNN
Complex #4683 — Ru(2)
[JRu]
2D Structure
⬇ MOL V3000
Info
ID
4683
Metal
Ru
Oxidation state
2
Charge
0
Donor atoms
{"N": 4}
Abbreviation
JRu
SMILES
CCOC(=O)c1nn[n-]c1-c1cccc(Br)n1.Cc1ccc(C(C)C)cc1.[Cl-]
TUCAN
C20H22BrN4O2Ru/(1-29)(2-30)(3-36)(4-24)(5-31)(6-24)(7-24)(8-25)(9-23)(10-23)(11-25)(12-32)(13-25)(14-40)(15-40)(16-26)(17-26)(18-27)(19-23)(20-33)(21-28)(22-26)(23-34)(24-36)(25-36)(26-40)(27-28)(27-37)(28-33)(29-31)(29-35)(30-32)(30-35)(31-34)(32-34)(33-42)(35-36)(37-38)(37-43)(38-39)(38-44)(39-41)(39-45)(40-48)(41-47)(41-48)(42-43)(42-49)(44-46)(45-46)(45-50)(46-50)(48-50)
Measurements (1)
Cell line
IC₅₀ dark (µM)
IC₅₀ light (µM)
DOI
Year
MDA-MB-231
52
—
10.1021/acs.jmedchem.4c02089
2025