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D-MPNN
Complex #4025 — Ru(2)
[3a]
2D Structure
⬇ MOL V3000
Info
ID
4025
Metal
Ru
Oxidation state
2
Charge
0
Donor atoms
{"N": 2}
Abbreviation
3a
SMILES
Cc1ccc(C(C)C)cc1.O=C1/C(=C/c2ccncc2)CC/C1=C\c1ccncc1.[Cl-].[Cl-]
TUCAN
C27H28N2ORu/(1-51)(2-42)(3-29)(4-29)(5-35)(6-29)(7-32)(8-33)(9-34)(10-39)(11-40)(12-52)(13-42)(14-53)(15-41)(16-43)(17-54)(18-43)(19-36)(20-30)(21-30)(22-37)(23-30)(24-31)(25-31)(26-38)(27-31)(28-50)(29-45)(30-50)(31-50)(32-44)(32-51)(33-44)(33-52)(34-48)(34-53)(35-36)(35-45)(36-46)(37-38)(37-46)(38-45)(39-48)(39-54)(40-44)(40-47)(41-48)(41-49)(42-43)(42-47)(43-49)(46-50)(47-55)(49-55)(51-56)(52-56)(53-57)(54-57)(55-58)(56-59)(57-59)
Measurements (1)
Cell line
IC₅₀ dark (µM)
IC₅₀ light (µM)
DOI
Year
MOLT-4
12
—
10.1016/j.poly.2019.07.034
2019