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Complex #1594 — Ru(2) [1b]

2D Structure

Structure
⬇ MOL V3000

Info

ID1594
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 7}
Abbreviation1b
SMILES[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn2)nc1.c1cnc2c(c1)c1nc[nH]c1c1cccnc12

TUCAN

C34H24N7Ru/(1-46)(2-26)(3-58)(4-32)(5-42)(6-28)(7-27)(8-29)(9-30)(10-41)(11-35)(12-48)(13-47)(14-33)(15-38)(16-50)(17-34)(18-37)(19-36)(20-40)(21-49)(22-31)(23-39)(24-60)(25-30)(25-43)(26-27)(26-51)(27-28)(28-46)(29-33)(29-45)(30-31)(31-32)(32-35)(33-50)(34-37)(34-49)(35-43)(36-38)(36-47)(37-44)(38-40)(39-41)(39-42)(40-57)(41-53)(42-48)(43-53)(44-52)(44-55)(45-54)(45-56)(46-62)(47-63)(48-65)(49-61)(50-59)(51-57)(51-62)(52-56)(52-64)(53-65)(54-55)(54-59)(55-61)(56-60)(57-63)(58-60)(58-64)(61-66)(62-66)(63-66)(64-66)(65-66)

Measurements (18)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A5492.3— 10.1002/chem.201404922 2014
HepG23.5— 10.1002/chem.201404922 2014
HeLa3.6— 10.1002/chem.201404922 2014
MCF-74.2— 10.1002/chem.201404922 2014
A5494.6— 10.1002/chem.201404922 2014
MCF-75.4— 10.1002/chem.201404922 2014
A549cisR5.5— 10.1002/chem.201404922 2014
HeLa6.1— 10.1002/chem.201404922 2014
A549cisR7.1— 10.1002/chem.201404922 2014
HepG27.5— 10.1002/chem.201404922 2014
MCF-710— 10.1002/chem.201404922 2014
A54912— 10.1002/chem.201404922 2014
HepG212— 10.1002/chem.201404922 2014
HeLa13— 10.1002/chem.201404922 2014
A549cisR15— 10.1002/chem.201404922 2014
LO216— 10.1002/chem.201404922 2014
LO222— 10.1002/chem.201404922 2014
LO228— 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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