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Complex #6980 — Rh(1) [2a]

2D Structure

Structure
⬇ MOL V3000

Info

ID6980
MetalRh
Oxidation state1
Charge0
Donor atoms{"N": 1}
Abbreviation2a
SMILESC1=C\CC/C=C\CC/1.Cc1cc2c(cc1C)[n+](Cc1c(C)c(C)c(C)c(C)c1C)[c-]n2CC(C)C.[Cl-]

TUCAN

C33ClN2Rh/(1-20)(2-21)(3-26)(4-23)(5-24)(6-25)(7-28)(8-27)(9-26)(10-21)(10-32)(11-20)(11-31)(12-13)(12-14)(13-15)(14-16)(15-17)(16-18)(17-19)(18-19)(20-21)(22-23)(22-27)(22-29)(23-24)(24-25)(25-28)(26-30)(27-28)(29-34)(30-35)(31-32)(31-34)(32-35)(33-34)(33-35)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
Ishikawa2.9— 10.1039/d1nj00144b 2021
U-87 MG6.6— 10.1039/d1nj00144b 2021
L-9298.8— 10.1039/d1nj00144b 2021
HT-2913— 10.1039/d1nj00144b 2021

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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