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Complex #1595 — Ru(2) [2b]

2D Structure

Structure
⬇ MOL V3000

Info

ID1595
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 7}
Abbreviation2b
SMILES[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1

TUCAN

C40H28N7Ru/(1-40)(2-56)(3-42)(4-32)(5-60)(6-51)(7-50)(8-30)(9-44)(10-39)(11-37)(12-38)(13-41)(14-49)(15-36)(16-46)(17-31)(18-43)(19-45)(20-57)(21-58)(22-59)(23-48)(24-47)(25-35)(26-34)(27-33)(28-70)(29-33)(29-55)(30-43)(30-44)(31-36)(31-53)(32-37)(32-59)(33-47)(34-47)(34-51)(35-38)(35-60)(36-57)(37-52)(38-41)(39-40)(39-42)(40-56)(41-61)(42-62)(43-54)(44-46)(45-46)(45-54)(48-49)(48-50)(49-64)(50-58)(51-55)(52-65)(52-66)(53-63)(53-67)(54-68)(55-61)(56-71)(57-73)(58-72)(59-69)(60-75)(61-75)(62-64)(62-71)(63-66)(63-74)(64-72)(65-67)(65-69)(66-70)(67-73)(68-70)(68-74)(71-76)(72-76)(73-76)(74-76)(75-76)

Measurements (18)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HepG21— 10.1002/chem.201404922 2014
A5491.1— 10.1002/chem.201404922 2014
HeLa1.5— 10.1002/chem.201404922 2014
HepG21.6— 10.1002/chem.201404922 2014
A5492.5— 10.1002/chem.201404922 2014
MCF-72.8— 10.1002/chem.201404922 2014
HeLa3.4— 10.1002/chem.201404922 2014
A549cisR3.4— 10.1002/chem.201404922 2014
MCF-74.6— 10.1002/chem.201404922 2014
A549cisR5.2— 10.1002/chem.201404922 2014
A549cisR7.1— 10.1002/chem.201404922 2014
HepG27.8— 10.1002/chem.201404922 2014
MCF-78.3— 10.1002/chem.201404922 2014
HeLa8.9— 10.1002/chem.201404922 2014
A5499.5— 10.1002/chem.201404922 2014
LO210— 10.1002/chem.201404922 2014
LO217— 10.1002/chem.201404922 2014
LO225— 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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