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Complex #6835 — Rh(3) [7]

2D Structure

Structure
⬇ MOL V3000

Info

ID6835
MetalRh
Oxidation state3
Charge0
Donor atoms{"O": 1}
Abbreviation7
SMILESCOc1cc(/C=C/C(=O)/C=C([O-])/C=C/c2ccc(O)c(OC)c2)ccc1O.Cc1c(C)c(C)[c-](C)c1C.[Cl-]

TUCAN

C31ClO6Rh/(1-17)(2-18)(3-19)(4-22)(5-23)(6-8)(6-20)(7-13)(7-20)(8-26)(9-15)(9-21)(10-27)(10-28)(11-12)(11-30)(12-21)(13-27)(14-20)(14-29)(15-28)(16-21)(16-31)(17-18)(17-19)(18-22)(19-23)(22-23)(24-36)(25-37)(26-29)(26-33)(27-32)(28-34)(29-36)(30-31)(30-35)(31-37)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A54931— 10.1002/ejic.201601331 2017
HEK293T44— 10.1016/j.jorganchem.2017.01.0... 2017
HepG252— 10.1016/j.jorganchem.2017.01.0... 2017
HeLa64— 10.1016/j.jorganchem.2017.01.0... 2017

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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