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Complex #3786 — Ru(2) [RDC-11]

2D Structure

Structure
⬇ MOL V3000

Info

ID3786
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 7}
AbbreviationRDC-11
SMILESCC#N.CC#N.[c-]1ccccc1-c1ccccn1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12

TUCAN

C39H30N7Ru/(1-62)(2-35)(3-31)(4-31)(5-31)(6-49)(7-60)(8-34)(9-37)(10-36)(11-43)(12-32)(13-42)(14-32)(15-41)(16-45)(17-61)(18-44)(19-46)(20-47)(21-52)(22-38)(23-39)(24-40)(25-63)(26-64)(27-48)(28-50)(29-32)(30-51)(31-58)(32-59)(33-42)(33-57)(34-35)(34-60)(35-53)(36-37)(36-61)(37-54)(38-52)(38-69)(39-44)(39-55)(40-47)(40-56)(41-42)(41-51)(43-46)(43-53)(44-63)(45-48)(45-54)(46-55)(47-64)(48-56)(49-52)(49-62)(50-51)(50-57)(53-65)(54-66)(55-67)(56-68)(57-69)(58-70)(59-71)(60-72)(61-73)(62-75)(63-74)(64-76)(65-67)(65-72)(66-68)(66-73)(67-74)(68-76)(69-75)(72-77)(73-77)(74-77)(75-77)(76-77)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HS6833.1— 10.1124/jpet.105.089342 2005
Neuro-2a5— 10.1124/jpet.105.089342 2005
SH-SY5Y5— 10.1124/jpet.105.089342 2005
HCT-1165— 10.1124/jpet.105.089342 2005
HEK2935— 10.1124/jpet.105.089342 2005
RDM415— 10.1124/jpet.105.089342 2005
A17219— 10.1124/jpet.105.089342 2005

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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