home← all complexes Ir builderC^N familiesD-MPNN

Complex #3825 — Ru(2) [3]

2D Structure

Structure
⬇ MOL V3000

Info

ID3825
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
Abbreviation3
SMILESc1cnc2c(c1)c1nc[nH]c1c1cccnc12.c1cnc2c(c1)c1nc[nH]c1c1cccnc12.c1cnc2c(c1)c1nc[nH]c1c1cccnc12

TUCAN

C39H24N12Ru/(1-25)(2-44)(3-43)(4-28)(5-27)(6-61)(7-26)(8-62)(9-32)(10-31)(11-46)(12-45)(13-29)(14-30)(15-63)(16-33)(17-36)(18-47)(19-35)(20-34)(21-48)(22-67)(23-68)(24-69)(25-26)(25-38)(26-44)(27-28)(27-43)(28-37)(29-31)(29-40)(30-32)(30-39)(31-46)(32-45)(33-35)(33-41)(34-36)(34-47)(35-48)(36-42)(37-50)(37-52)(38-49)(38-51)(39-55)(39-56)(40-53)(40-54)(41-59)(41-60)(42-57)(42-58)(43-71)(44-64)(45-65)(46-72)(47-66)(48-74)(49-50)(49-67)(50-70)(51-52)(51-64)(52-71)(53-56)(53-72)(54-55)(54-73)(55-68)(56-65)(57-60)(57-69)(58-59)(58-66)(59-74)(60-75)(61-67)(61-70)(62-68)(62-73)(63-69)(63-75)(70-76)(71-76)(72-76)(73-76)(74-76)(75-76)

Measurements (16)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa11— 10.1016/j.jinorgbio.2013.12.00... 2014
HepG212— 10.1016/j.jinorgbio.2013.12.00... 2014
A54914— 10.1016/j.jinorgbio.2013.10.00... 2013
PC-1217— 10.1039/c4mt00044g 2012
HeLa19— 10.1016/j.jinorgbio.2013.10.00... 2013
MDA-MB-23124— 10.1016/j.jinorgbio.2013.12.00... 2014
A54926— 10.1016/j.jinorgbio.2013.12.00... 2014
MDA-MB-23129— 10.1016/j.jinorgbio.2013.10.00... 2013
HepG233— 10.1016/j.jinorgbio.2013.10.00... 2013
CNE39— 10.1016/j.jinorgbio.2013.12.00... 2014
CNE53— 10.1016/j.jinorgbio.2013.10.00... 2013
HK-272— 10.1039/c4mt00044g 2012
HepG277— 10.1039/c4mt00044g 2012
MCF-792— 10.1039/c4mt00044g 2012
A3751.4e+02— 10.1039/c4mt00044g 2012
A5491.8e+02— 10.1039/c4mt00044g 2012

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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