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Complex #6981 — Rh(1) [2b]

2D Structure

Structure
⬇ MOL V3000

Info

ID6981
MetalRh
Oxidation state1
Charge0
Donor atoms{"N": 1}
Abbreviation2b
SMILESC1=C\CC/C=C\CC/1.Cc1c(C)c(C)c(C[n+]2[c-]n(CC(C)C)c3ccccc32)c(C)c1C.[Cl-]

TUCAN

C31ClN2Rh/(1-20)(2-22)(3-21)(4-23)(5-25)(6-23)(7-24)(8-9)(8-10)(9-11)(10-15)(11-16)(12-14)(12-29)(13-14)(13-17)(15-18)(16-19)(17-30)(18-19)(20-21)(20-26)(21-22)(22-24)(23-28)(24-25)(25-26)(26-27)(27-33)(28-32)(29-30)(29-32)(30-33)(31-32)(31-33)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HT-291.4— 10.1039/d1nj00144b 2021
L-9299.8— 10.1039/d1nj00144b 2021
U-87 MG12— 10.1039/d1nj00144b 2021
Ishikawa—— 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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