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Complex #6873 — Rh(3) [7]

2D Structure

Structure
⬇ MOL V3000

Info

ID6873
MetalRh
Oxidation state3
Charge0
Donor atoms{"S": 1, "O": 1, "N": 2}
Abbreviation7
SMILESCS(C)=O.Cc1ccnc2c1ccc1c(C)ccnc12.[Cl-].[Cl-].[Cl-]

TUCAN

C16H18N2ORhS/(1-19)(2-29)(3-21)(4-22)(5-24)(6-19)(7-23)(8-19)(9-20)(10-20)(11-20)(12-30)(13-33)(14-33)(15-33)(16-34)(17-34)(18-34)(19-27)(20-28)(21-23)(21-25)(22-27)(22-29)(23-26)(24-28)(24-30)(25-27)(25-31)(26-28)(26-32)(29-35)(30-36)(31-32)(31-35)(32-36)(33-38)(34-38)(35-39)(36-39)(37-38)(38-39)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HT-290.26— 10.1002/cmdc.201000517 2011
MCF-70.31— 10.1002/cmdc.201000517 2011
HEK2930.99— 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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