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Complex #22 — Ru(2) [8]

2D Structure

Structure
⬇ MOL V3000

Info

ID22
MetalRu
Oxidation state2
Charge0
Donor atoms{"P": 1}
Abbreviation8
SMILESCc1ccc(C(C)C)cc1.O=S(=O)(CCP(c1ccccc1)c1ccccc1)c1ccccc1.[Cl-].[Cl-]

TUCAN

C30Cl2O2PRuS/(1-23)(2-24)(3-24)(4-10)(4-27)(5-12)(5-27)(6-8)(6-11)(7-11)(7-22)(8-30)(9-13)(9-28)(10-17)(12-17)(13-21)(14-18)(14-25)(15-20)(15-25)(16-19)(16-28)(18-23)(19-21)(20-23)(22-30)(24-25)(26-29)(26-33)(27-33)(28-33)(29-34)(30-34)(31-34)(32-34)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
SW48012 10.1016/j.jinorgbio.2012.04.00... 2012
A25320 10.1016/j.jinorgbio.2012.04.00... 2012
8505C21 10.1016/j.jinorgbio.2012.04.00... 2012
MCF-721 10.1016/j.jinorgbio.2012.04.00... 2012
518A222 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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