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D-MPNN
Complex #5217 — Ir(3)
[3]
2D Structure
⬇ MOL V3000
Info
ID
5217
Metal
Ir
Oxidation state
3
Charge
0
Donor atoms
{"N": 2}
Abbreviation
3
SMILES
Cc1c(C)c(C)[c-](C)c1C.O=C([N-]c1cccc(Cl)c1)c1ccccn1.[Cl-]
TUCAN
C22H23ClIrN2O/(1-24)(2-24)(3-24)(4-25)(5-25)(6-25)(7-26)(8-29)(9-32)(10-31)(11-33)(12-34)(13-41)(14-35)(15-30)(16-26)(17-26)(18-27)(19-27)(20-27)(21-28)(22-28)(23-28)(24-36)(25-37)(26-38)(27-39)(28-40)(29-31)(29-41)(30-31)(30-42)(32-35)(32-45)(33-35)(33-43)(34-43)(34-45)(36-37)(36-38)(37-39)(38-40)(39-40)(41-47)(42-44)(42-47)(43-46)(44-46)(44-48)(45-49)(46-50)(47-50)
Measurements (1)
Cell line
IC₅₀ dark (µM)
IC₅₀ light (µM)
DOI
Year
A2780
33
—
10.1021/ic401529u
2014