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Complex #738 — Ru(2) [TBzph]

2D Structure

Structure
⬇ MOL V3000

Info

ID738
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 5}
AbbreviationTBzph
SMILESNC(=S)c1ccccc1.[Cl-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12

TUCAN

C31H23N5RuS/(1-25)(2-46)(3-47)(4-28)(5-24)(6-35)(7-38)(8-29)(9-31)(10-26)(11-30)(12-32)(13-39)(14-48)(15-27)(16-49)(17-33)(18-36)(19-37)(20-40)(21-34)(22-55)(23-55)(24-26)(24-41)(25-29)(25-41)(26-42)(27-37)(27-43)(28-31)(28-42)(29-46)(30-33)(30-43)(31-47)(32-36)(32-44)(33-48)(34-35)(34-40)(35-38)(36-49)(37-44)(38-45)(39-40)(39-45)(41-50)(42-51)(43-52)(44-53)(45-54)(46-56)(47-57)(48-58)(49-59)(50-51)(50-56)(51-57)(52-53)(52-58)(53-59)(54-55)(54-60)(56-61)(57-61)(58-61)(59-61)

Measurements (12)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
H-601.4 10.1007/s11243-024-00596-5 2024
HL601.5 10.1007/s11243-024-00596-5 2024
KG-1a3 10.1007/s11243-024-00596-5 2024
THP-13.5 10.1007/s11243-024-00596-5 2024
Jurkat3.8 10.1007/s11243-024-00596-5 2024
K-5623.8 10.1007/s11243-024-00596-5 2024
HepG23.9 10.1007/s11243-024-00596-5 2024
CAL-274.5 10.1007/s11243-024-00596-5 2024
HSC-34.9 10.1007/s11243-024-00596-5 2024
NB44.9 10.1007/s11243-024-00596-5 2024
B16-F106.5 10.1007/s11243-024-00596-5 2024
MRC-59.9 10.1007/s11243-024-00596-5 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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