home← all complexes Ir builderC^N familiesD-MPNN

Complex #1596 — Ru(2) [3b]

2D Structure

Structure
⬇ MOL V3000

Info

ID1596
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 7}
Abbreviation3b
SMILES[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn2)nc1.c1cnc2c(c1)c1nccnc1c1cccnc12

TUCAN

C35H24N7Ru/(1-46)(2-26)(3-51)(4-32)(5-48)(6-28)(7-27)(8-52)(9-37)(10-30)(11-41)(12-34)(13-47)(14-29)(15-36)(16-33)(17-50)(18-38)(19-35)(20-39)(21-49)(22-31)(23-42)(24-40)(25-30)(25-43)(26-27)(26-53)(27-28)(28-46)(29-37)(29-50)(30-31)(31-32)(32-34)(33-38)(33-49)(34-43)(35-36)(35-47)(36-39)(37-45)(38-44)(39-59)(40-41)(40-42)(41-54)(42-48)(43-54)(44-57)(44-58)(45-55)(45-56)(46-64)(47-65)(48-66)(49-62)(50-60)(51-52)(51-63)(52-61)(53-59)(53-64)(54-66)(55-58)(55-60)(56-57)(56-61)(57-63)(58-62)(59-65)(62-67)(63-67)(64-67)(65-67)(66-67)

Measurements (18)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa1.1— 10.1002/chem.201404922 2014
HepG21.2— 10.1002/chem.201404922 2014
A5491.3— 10.1002/chem.201404922 2014
HepG22.4— 10.1002/chem.201404922 2014
A549cisR2.6— 10.1002/chem.201404922 2014
A5492.8— 10.1002/chem.201404922 2014
MCF-73.1— 10.1002/chem.201404922 2014
HeLa3.7— 10.1002/chem.201404922 2014
MCF-73.8— 10.1002/chem.201404922 2014
A549cisR5.9— 10.1002/chem.201404922 2014
MCF-77.9— 10.1002/chem.201404922 2014
HepG28.9— 10.1002/chem.201404922 2014
A549cisR9— 10.1002/chem.201404922 2014
HeLa9.5— 10.1002/chem.201404922 2014
A54910— 10.1002/chem.201404922 2014
LO211— 10.1002/chem.201404922 2014
LO214— 10.1002/chem.201404922 2014
LO222— 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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