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Complex #6833 — Rh(3) [5]

2D Structure

Structure
⬇ MOL V3000

Info

ID6833
MetalRh
Oxidation state3
Charge0
Donor atoms{"O": 1}
Abbreviation5
SMILESCOc1ccccc1/C=C/C(=O)/C=C([O-])/C=C/c1ccccc1OC.Cc1c(C)c(C)[c-](C)c1C.[Cl-]

TUCAN

C31ClO4Rh/(1-19)(2-20)(3-22)(4-23)(5-24)(6-9)(6-28)(7-12)(7-13)(8-11)(8-29)(9-21)(10-28)(10-29)(11-25)(12-14)(13-21)(14-30)(15-16)(15-31)(16-18)(17-18)(17-25)(19-20)(19-22)(20-23)(21-30)(22-24)(23-24)(25-31)(26-34)(27-35)(28-32)(29-33)(30-34)(31-35)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HEK293T39— 10.1016/j.jorganchem.2017.01.0... 2017
HepG266— 10.1016/j.jorganchem.2017.01.0... 2017
HeLa—— 10.1016/j.jorganchem.2017.01.0... 2017

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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