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Complex #6746 — Rh(3) [2dL2]

2D Structure

Structure
⬇ MOL V3000

Info

ID6746
MetalRh
Oxidation state3
Charge0
Donor atoms{"N": 5, "P": 1, "S": 1}
Abbreviation2dL2
SMILESC1N2CN3CN1CP(C2)C3.CCS(=O)(=O)/N=C(\[S-])Nc1ccccc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]

TUCAN

C25H38N5O2PRhS2/(1-39)(2-39)(3-39)(4-40)(5-40)(6-40)(7-41)(8-45)(9-41)(10-41)(11-43)(12-43)(13-43)(14-44)(15-44)(16-44)(17-47)(18-49)(19-46)(20-48)(21-59)(22-59)(23-56)(24-42)(25-60)(26-60)(27-61)(28-61)(29-42)(30-62)(31-62)(32-42)(33-56)(34-57)(35-57)(36-58)(37-58)(38-64)(39-50)(40-51)(41-52)(42-62)(43-53)(44-54)(45-47)(45-55)(46-47)(46-49)(48-49)(48-55)(50-51)(50-52)(51-53)(52-54)(53-54)(55-64)(56-65)(56-67)(57-65)(57-66)(58-66)(58-67)(59-65)(59-71)(60-66)(60-71)(61-67)(61-71)(62-73)(63-64)(63-68)(63-72)(68-73)(68-74)(69-73)(70-73)(71-74)(73-74)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HCT-116—— 10.1039/d4dt02733g 2024
NCI-H460—— 10.1039/d4dt02733g 2024
SiHa—— 10.1039/d4dt02733g 2024
SW480—— 10.1039/d4dt02733g 2024

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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