home← all complexes Ir builderC^N familiesD-MPNN

Complex #6508 — Os(2) [3]

2D Structure

Structure
⬇ MOL V3000

Info

ID6508
MetalOs
Oxidation state2
Charge1
Donor atoms{"N": 3}
Abbreviation3
SMILESOc1ccc(/N=N/c2ccccn2)cc1.[I-].c1ccc(-c2ccccc2)cc1

TUCAN

C23H19N3OOs/(1-20)(2-25)(3-22)(4-26)(5-30)(6-21)(7-31)(8-23)(9-33)(10-28)(11-27)(12-32)(13-24)(14-29)(15-34)(16-36)(17-39)(18-35)(19-46)(20-22)(20-25)(21-25)(21-26)(22-37)(23-29)(23-30)(24-29)(24-31)(26-37)(27-28)(27-40)(28-42)(30-38)(31-38)(32-36)(32-39)(33-36)(33-41)(34-35)(34-40)(35-42)(37-38)(39-43)(40-45)(41-43)(41-44)(42-46)(44-45)(44-47)(45-47)(46-47)

Measurements (14)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A2780cisR0.13— 10.1021/acs.jmedchem.8b00958 2018
A27800.14— 10.1021/jm100560f 2010
A27800.14— 10.1021/acs.jmedchem.8b00958 2018
HCT-116Ox0.14— 10.1021/acs.jmedchem.8b00958 2018
HCT-1160.15— 10.1021/acs.jmedchem.8b00958 2018
A2780cisR0.19— 10.1021/jm100560f 2010
MRC-50.22— 10.1021/acs.jmedchem.8b00958 2018
MCF-70.31— 10.1021/jm100560f 2010
HOF0.32— 10.1021/acs.jmedchem.8b00958 2018
HCT-1160.34— 10.1021/jm100560f 2010
PC-30.37— 10.1021/jm100560f 2010
A5490.42— 10.1021/jm100560f 2010
RT-1120.42— 10.1021/jm100560f 2010
A5490.52— 10.1021/acs.jmedchem.8b00958 2018

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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