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Complex #2376 — Ru(2) [[RuCl(en)([9]aneS3)][OTf] (6)]

2D Structure

Structure
⬇ MOL V3000

Info

ID2376
MetalRu
Oxidation state2
Charge1
Donor atoms{"S": 3, "N": 2}
Abbreviation[RuCl(en)([9]aneS3)][OTf] (6)
SMILESC1CSCCSCCS1.NCCN.[Cl-]

TUCAN

C8H20N2RuS3/(1-21)(2-21)(3-23)(4-23)(5-24)(6-24)(7-25)(8-25)(9-26)(10-22)(11-26)(12-22)(13-27)(14-27)(15-28)(16-28)(17-29)(18-29)(19-30)(20-30)(21-22)(21-29)(22-30)(23-24)(23-31)(24-32)(25-27)(25-31)(26-28)(26-32)(27-33)(28-33)(31-34)(32-34)(33-34)

Measurements (10)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
TS/A65— 10.1002/ejic.200500210 2005
MDA-MB-23181— 10.1039/c2dt30654a 2012
KB1.2e+02— 10.1016/j.jinorgbio.2008.01.00... 2008
MDA-MB-2311.6e+02— 10.1016/j.jinorgbio.2008.01.00... 2008
H460M1.7e+02— 10.1016/j.jinorgbio.2008.01.00... 2008
HBL-1001.8e+02— 10.1002/ejic.200500210 2005
HT-292.4e+02— 10.1016/j.jinorgbio.2008.01.00... 2008
MIA PaCa-22.4e+02— 10.1016/j.jinorgbio.2008.01.00... 2008
A2780cisR2.4e+02— 10.1016/j.jinorgbio.2008.01.00... 2008
A27803e+02— 10.1016/j.jinorgbio.2008.01.00... 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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