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Complex #17 — Ru(2) [3]

2D Structure

Structure
⬇ MOL V3000

Info

ID17
MetalRu
Oxidation state2
Charge0
Donor atoms{"P": 1}
Abbreviation3
SMILESCc1ccc(C(C)C)cc1.[Cl-].[Cl-].c1ccc(SCCCP(c2ccccc2)c2ccccc2)cc1

TUCAN

C31Cl2PRuS/(1-24)(2-26)(3-26)(4-6)(4-7)(5-9)(5-28)(6-10)(7-31)(8-9)(8-13)(10-11)(11-31)(12-13)(12-28)(14-15)(14-17)(15-29)(16-17)(16-21)(18-27)(18-30)(19-22)(19-25)(20-23)(20-25)(21-29)(22-24)(23-24)(25-26)(27-32)(28-32)(29-32)(30-33)(31-33)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MCF-71.8 10.1016/j.jinorgbio.2012.04.00... 2012
SW4802.7 10.1016/j.jinorgbio.2012.04.00... 2012
518A23 10.1016/j.jinorgbio.2012.04.00... 2012
8505C3.6 10.1016/j.jinorgbio.2012.04.00... 2012
A2533.9 10.1016/j.jinorgbio.2012.04.00... 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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