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D-MPNN
Complex #4990 — Ir(3)
[5]
2D Structure
⬇ MOL V3000
Info
ID
4990
Metal
Ir
Oxidation state
3
Charge
1
Donor atoms
{"N": 2}
Abbreviation
5
SMILES
Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[Cl-].c1cnc2c(c1)ccc1cccnc12
TUCAN
C27H25IrN2/(1-36)(2-35)(3-37)(4-26)(5-26)(6-26)(7-33)(8-27)(9-27)(10-38)(11-49)(12-31)(13-50)(14-30)(15-39)(16-32)(17-40)(18-29)(19-34)(20-27)(21-28)(22-28)(23-28)(24-29)(25-29)(26-42)(27-43)(28-44)(29-47)(30-31)(30-49)(31-41)(32-39)(32-50)(33-35)(33-45)(34-37)(34-45)(35-36)(36-37)(38-40)(38-41)(39-48)(40-48)(41-51)(42-43)(42-46)(43-44)(44-47)(45-46)(46-47)(48-52)(49-53)(50-54)(51-52)(51-53)(52-54)(53-55)(54-55)
Measurements (1)
Cell line
IC₅₀ dark (µM)
IC₅₀ light (µM)
DOI
Year
A2780
6.7
—
10.1021/jm2000932
2011