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Complex #2250 — Ru(2) [6]

2D Structure

Structure
⬇ MOL V3000

Info

ID2250
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
Abbreviation6
SMILESc1ccc2[nH]c(CCSCCSCCc3nc4ccccc4[nH]3)nc2c1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1

TUCAN

C38H32N8RuS2/(1-69)(2-69)(3-38)(4-44)(5-34)(6-36)(7-54)(8-70)(9-67)(10-39)(11-45)(12-43)(13-40)(14-49)(15-37)(16-42)(17-47)(18-49)(19-67)(20-70)(21-48)(22-53)(23-68)(24-50)(25-46)(26-35)(27-50)(28-68)(29-33)(30-41)(31-73)(32-74)(33-35)(33-45)(34-35)(34-55)(36-43)(36-51)(37-38)(37-63)(38-39)(39-40)(40-58)(41-47)(41-59)(42-47)(42-48)(43-54)(44-46)(44-52)(45-61)(46-53)(48-64)(49-65)(49-67)(50-66)(50-68)(51-56)(51-57)(52-60)(52-62)(53-75)(54-72)(55-61)(55-71)(56-62)(56-71)(57-60)(57-72)(58-63)(58-76)(59-64)(59-77)(60-75)(61-78)(62-78)(63-74)(64-73)(65-73)(65-77)(66-74)(66-76)(67-79)(68-80)(69-70)(69-79)(70-80)(75-81)(76-81)(77-81)(78-81)(79-81)(80-81)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A3754 10.1039/B710578A 2008
HaCaT4.2 10.1039/B710578A 2008
U3737.3 10.1039/B710578A 2008
NCI-H46012 10.1039/B710578A 2008
MDA-MB-46820 10.1039/B710578A 2008
HT-108028 10.1039/B710578A 2008
MDA-MB-435 10.1039/B710578A 2008

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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