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Complex #6876 — Rh(3) [10]

2D Structure

Structure
⬇ MOL V3000

Info

ID6876
MetalRh
Oxidation state3
Charge0
Donor atoms{"S": 1, "O": 1, "N": 4}
Abbreviation10
SMILESCS(C)=O.Cc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1C.[Cl-].[Cl-].[Cl-]

TUCAN

C22H20N4ORhS/(1-34)(2-21)(3-33)(4-21)(5-28)(6-21)(7-23)(8-25)(9-24)(10-22)(11-26)(12-22)(13-27)(14-22)(15-41)(16-41)(17-41)(18-42)(19-42)(20-42)(21-31)(22-32)(23-24)(23-33)(24-29)(25-31)(25-38)(26-27)(26-34)(27-30)(28-32)(28-40)(29-35)(29-36)(30-37)(30-39)(31-32)(33-46)(34-44)(35-39)(35-45)(36-37)(36-46)(37-44)(38-40)(38-43)(39-43)(40-45)(41-48)(42-48)(45-49)(46-49)(47-48)(48-49)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MCF-71— 10.1002/cmdc.201000517 2011
HEK2931— 10.1002/cmdc.201000517 2011
HT-291.8— 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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