home← all complexes Ir builderC^N familiesD-MPNN

Complex #6465 — Os(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID6465
MetalOs
Oxidation state2
Charge1
Donor atoms{"N": 4}
Abbreviation1
SMILESCN(C)c1ccc(/N=N/c2ccccn2)cc1.Cc1ccc(C(C)C)cc1.[I-]

TUCAN

C23H28N4Os/(1-45)(2-29)(3-33)(4-29)(5-29)(6-37)(7-32)(8-31)(9-30)(10-31)(11-31)(12-38)(13-42)(14-35)(15-34)(16-46)(17-46)(18-46)(19-47)(20-41)(21-47)(22-48)(23-30)(24-30)(25-36)(26-40)(27-39)(28-47)(29-45)(30-44)(31-45)(32-33)(32-44)(33-43)(34-35)(34-50)(35-49)(36-37)(36-44)(37-43)(38-41)(38-42)(39-40)(39-49)(40-50)(41-48)(42-51)(43-45)(46-53)(47-53)(48-52)(49-55)(50-53)(51-52)(51-54)(54-55)(54-56)(55-56)

Measurements (14)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MCF-70.12— 10.1073/pnas.1500925112 2015
A27800.15— 10.1073/pnas.1500925112 2015
A27800.18— 10.1021/jm100560f 2010
MCF-70.2— 10.1021/jm100560f 2010
A27800.2— 10.1039/c1md00075f 2011
HCT-1160.22— 10.1021/jm100560f 2010
A2780cisR0.23— 10.1021/jm100560f 2010
RT-1120.25— 10.1021/jm100560f 2010
HCT-1160.26— 10.1073/pnas.1500925112 2015
A5490.28— 10.1073/pnas.1500925112 2015
A5490.38— 10.1021/jm100560f 2010
A5490.4— 10.1039/c1md00075f 2011
PC-30.62— 10.1021/jm100560f 2010
PC-30.65— 10.1073/pnas.1500925112 2015

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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