home← all complexes Ir builderC^N familiesD-MPNN

Complex #2453 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID2453
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
Abbreviation2
SMILESCc1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12

TUCAN

C44H30N8Ru/(1-40)(2-62)(3-51)(4-45)(5-34)(6-60)(7-33)(8-36)(9-43)(10-61)(11-32)(12-63)(13-31)(14-42)(15-44)(16-35)(17-46)(18-47)(19-48)(20-41)(21-39)(22-37)(23-64)(24-50)(25-65)(26-49)(27-38)(28-31)(29-31)(30-76)(31-53)(32-38)(32-52)(33-34)(33-52)(34-60)(35-37)(35-54)(36-43)(36-54)(37-56)(38-57)(39-41)(39-53)(40-42)(40-58)(41-42)(43-61)(44-47)(44-63)(45-51)(45-62)(46-50)(46-55)(47-56)(48-49)(48-57)(49-64)(50-65)(51-59)(52-66)(53-58)(54-67)(55-68)(55-70)(56-71)(57-72)(58-74)(59-69)(59-73)(60-77)(61-78)(62-79)(63-80)(64-82)(65-75)(66-72)(66-77)(67-71)(67-78)(68-69)(68-75)(69-79)(70-73)(70-76)(71-80)(72-82)(73-81)(74-76)(74-81)(77-83)(78-83)(79-83)(80-83)(81-83)(82-83)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
L121037 10.1016/j.jinorgbio.2007.07.03... 2007
HL6046 10.1016/j.jinorgbio.2007.07.03... 2007
KB46 10.1016/j.jinorgbio.2007.07.03... 2007
BEL-740258 10.1016/j.jinorgbio.2007.07.03... 2007

Source-assisted 2D generator

Builds the drawing from source ligand graphs and explicit donor metadata, then uses Metal2D only for layout. Publication output uses black bonds without arrows or colour highlighting; validated octahedral enantiomers are encoded directly with solid and hashed wedge bonds.

experimental validation surface
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