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Complex #1597 — Ru(2) [4b]

2D Structure

Structure
⬇ MOL V3000

Info

ID1597
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 7}
Abbreviation4b
SMILES[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn2)nc1.c1ccc2cc3nc4c5cccnc5c5ncccc5c4nc3cc2c1

TUCAN

C43H28N7Ru/(1-39)(2-58)(3-38)(4-62)(5-48)(6-47)(7-51)(8-40)(9-44)(10-49)(11-42)(12-31)(13-36)(14-59)(15-33)(16-37)(17-60)(18-43)(19-30)(20-34)(21-41)(22-35)(23-45)(24-61)(25-50)(26-32)(27-52)(28-46)(29-32)(29-54)(30-44)(30-57)(31-42)(31-56)(32-46)(33-47)(33-54)(34-45)(34-55)(35-53)(35-66)(36-52)(36-68)(37-39)(37-58)(38-39)(38-65)(40-43)(40-44)(41-57)(41-70)(42-62)(43-53)(45-61)(46-47)(48-52)(48-59)(49-51)(49-71)(50-51)(50-60)(53-57)(54-68)(55-64)(55-69)(56-63)(56-67)(58-74)(59-78)(60-75)(61-77)(62-73)(63-69)(63-73)(64-67)(64-76)(65-71)(65-74)(66-70)(66-76)(67-72)(68-78)(69-77)(70-72)(71-75)(74-79)(75-79)(76-79)(77-79)(78-79)

Measurements (18)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa0.8— 10.1002/chem.201404922 2014
HepG20.9— 10.1002/chem.201404922 2014
A5490.9— 10.1002/chem.201404922 2014
HepG21.2— 10.1002/chem.201404922 2014
A5491.3— 10.1002/chem.201404922 2014
MCF-71.5— 10.1002/chem.201404922 2014
A549cisR1.7— 10.1002/chem.201404922 2014
HeLa2— 10.1002/chem.201404922 2014
MCF-72.5— 10.1002/chem.201404922 2014
A549cisR4.3— 10.1002/chem.201404922 2014
MCF-76.3— 10.1002/chem.201404922 2014
A549cisR6.6— 10.1002/chem.201404922 2014
HeLa7.1— 10.1002/chem.201404922 2014
A5497.4— 10.1002/chem.201404922 2014
HepG28.7— 10.1002/chem.201404922 2014
LO29.2— 10.1002/chem.201404922 2014
LO213— 10.1002/chem.201404922 2014
LO218— 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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