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Complex #6875 — Rh(3) [9]

2D Structure

Structure
⬇ MOL V3000

Info

ID6875
MetalRh
Oxidation state3
Charge0
Donor atoms{"N": 2, "S": 1, "O": 1}
Abbreviation9
SMILESCOc1ccnc2c1ccc1c(OC)ccnc12.CS(C)=O.[Cl-].[Cl-].[Cl-]

TUCAN

C16H18N2O3RhS/(1-25)(2-33)(3-20)(4-29)(5-33)(6-29)(7-19)(8-29)(9-30)(10-26)(11-33)(12-22)(13-30)(14-21)(15-34)(16-30)(17-34)(18-34)(19-21)(19-23)(20-25)(20-31)(21-24)(22-26)(22-32)(23-27)(23-31)(24-28)(24-32)(25-35)(26-36)(27-28)(27-35)(28-36)(29-38)(30-39)(31-38)(32-39)(33-40)(34-40)(35-41)(36-41)(37-40)(38-41)(39-41)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HEK2931.3— 10.1002/cmdc.201000517 2011
HT-292.5— 10.1002/cmdc.201000517 2011
MCF-73.5— 10.1002/cmdc.201000517 2011

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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