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Complex #7040 — Rh(1) [5b]

2D Structure

Structure
⬇ MOL V3000

Info

ID7040
MetalRh
Oxidation state1
Charge0
Donor atoms{"N": 2}
Abbreviation5b
SMILESC1=C\CC/C=C\CC/1.CCSc1ccc2c3c(cccc13)C(=O)N(CCC[n+]1[c-]n(CC)cc1)C2=O.[Cl-]

TUCAN

C30ClN3O2RhS/(1-29)(2-22)(3-4)(3-5)(4-6)(5-7)(6-8)(7-9)(8-10)(9-10)(11-13)(11-19)(12-15)(12-30)(13-16)(14-23)(14-24)(15-17)(16-20)(17-18)(17-27)(18-19)(18-20)(19-28)(20-30)(21-25)(21-32)(22-32)(23-33)(24-31)(25-31)(26-31)(26-32)(27-33)(27-35)(28-33)(28-34)(29-36)(30-36)

Measurements (2)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MCF-71.7— 10.1016/j.ejmech.2018.06.056 2018
HT-296.5— 10.1016/j.ejmech.2018.06.056 2018

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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