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Complex #6826 — Rh(3) [5]

2D Structure

Structure
⬇ MOL V3000

Info

ID6826
MetalRh
Oxidation state3
Charge1
Donor atoms{"N": 6, "S": 2}
Abbreviation5
SMILESCN(C)C(=S)[S-].CN(C)C(=S)[S-].c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1

TUCAN

C24H22N6RhS4/(1-25)(2-23)(3-30)(4-33)(5-33)(6-28)(7-27)(8-38)(9-33)(10-34)(11-34)(12-34)(13-35)(14-35)(15-37)(16-24)(17-29)(18-26)(19-35)(20-36)(21-36)(22-36)(23-29)(23-40)(24-25)(24-37)(25-32)(26-28)(26-29)(27-30)(27-38)(28-42)(30-31)(31-43)(31-44)(32-39)(32-41)(33-49)(34-49)(35-50)(36-50)(37-51)(38-48)(39-44)(39-51)(40-42)(40-47)(41-43)(41-52)(42-52)(43-47)(44-48)(45-49)(45-53)(45-54)(46-50)(46-55)(46-56)(51-57)(52-57)

Measurements (2)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MCF-70.055— 10.1016/j.jinorgbio.2011.04.00... 2011
HT-290.058— 10.1016/j.jinorgbio.2011.04.00... 2011

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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