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Complex #7027 — Rh(3) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID7027
MetalRh
Oxidation state3
Charge0
Donor atoms{"P": 1}
Abbreviation1
SMILESCc1c(C)c(C)[c-](C)c1C.O=C(O)CCP(CCC(=O)O)CCC(=O)O.[Cl-].[Cl-]

TUCAN

C19Cl2O6PRh/(1-9)(2-10)(3-11)(4-12)(5-13)(6-14)(6-17)(7-15)(7-18)(8-16)(8-19)(9-10)(9-11)(10-12)(11-13)(12-13)(14-20)(14-21)(15-22)(15-23)(16-24)(16-25)(17-26)(18-26)(19-26)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MDA-MB-23167— 10.1016/j.jorganchem.2016.08.0... 2016
SH-41.7e+02— 10.1016/j.jorganchem.2016.08.0... 2016
Sk-mel2.8e+02— 10.1016/j.jorganchem.2016.08.0... 2016
COLO-8293.1e+02— 10.1016/j.jorganchem.2016.08.0... 2016
MCF-74.5e+02— 10.1016/j.jorganchem.2016.08.0... 2016
T47D5e+02— 10.1016/j.jorganchem.2016.08.0... 2016
C326.9e+02— 10.1016/j.jorganchem.2016.08.0... 2016

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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