home← all complexes Ir builderC^N familiesD-MPNN

Complex #1592 — Ru(2) [3a]

2D Structure

Structure
⬇ MOL V3000

Info

ID1592
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
Abbreviation3a
SMILESc1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc2c(c1)c1nccnc1c1cccnc12

TUCAN

C34H24N8Ru/(1-28)(2-44)(3-45)(4-27)(5-48)(6-32)(7-31)(8-38)(9-25)(10-29)(11-30)(12-33)(13-46)(14-34)(15-35)(16-49)(17-50)(18-39)(19-26)(20-43)(21-47)(22-37)(23-36)(24-40)(25-27)(25-44)(26-32)(26-43)(27-28)(28-52)(29-30)(29-45)(30-31)(31-53)(32-41)(33-37)(33-42)(34-35)(34-38)(35-49)(36-40)(36-50)(37-47)(38-57)(39-40)(39-58)(41-54)(41-56)(42-51)(42-55)(43-59)(44-62)(45-63)(46-48)(46-61)(47-66)(48-60)(49-64)(50-65)(51-56)(51-61)(52-53)(52-62)(53-63)(54-55)(54-59)(55-66)(56-60)(57-58)(57-64)(58-65)(61-67)(62-67)(63-67)(64-67)(65-67)(66-67)

Measurements (20)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MCF-752— 10.1002/cmdc.200800039 2008
HT-2962— 10.1002/cmdc.200800039 2008
MCF-780— 10.1002/chem.201404922 2014
HeLa95— 10.1002/chem.201404922 2014
LO295— 10.1002/chem.201404922 2014
HeLa—— 10.1002/chem.201404922 2014
MCF-7—— 10.1002/chem.201404922 2014
HepG2—— 10.1002/chem.201404922 2014
A549—— 10.1002/chem.201404922 2014
A549cisR—— 10.1002/chem.201404922 2014
LO2—— 10.1002/chem.201404922 2014
HeLa—— 10.1002/chem.201404922 2014
MCF-7—— 10.1002/chem.201404922 2014
HepG2—— 10.1002/chem.201404922 2014
A549—— 10.1002/chem.201404922 2014
A549cisR—— 10.1002/chem.201404922 2014
LO2—— 10.1002/chem.201404922 2014
HepG2—— 10.1002/chem.201404922 2014
A549—— 10.1002/chem.201404922 2014
A549cisR—— 10.1002/chem.201404922 2014

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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