home← all complexes Ir builderC^N familiesD-MPNN

Complex #1297 — Ru(2) [5]

2D Structure

Structure
⬇ MOL V3000

Info

ID1297
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 3, "P": 1, "O": 1}
Abbreviation5
SMILESC1N2CN3CN1CP(C2)C3.Cc1c(C)c(C)c(C)c(C)c1C.O=C(/C=C(\[O-])c1ccccc1O)c1ccccc1

TUCAN

C33H41N3O3PRu/(1-50)(2-51)(3-53)(4-56)(5-52)(6-54)(7-42)(8-42)(9-42)(10-43)(11-43)(12-43)(13-44)(14-44)(15-44)(16-45)(17-45)(18-45)(19-72)(20-72)(21-66)(22-66)(23-67)(24-67)(25-68)(26-68)(27-49)(28-48)(29-46)(30-46)(31-57)(32-55)(33-46)(34-47)(35-47)(36-73)(37-47)(38-73)(39-74)(40-74)(41-80)(42-58)(43-59)(44-60)(45-63)(46-64)(47-65)(48-49)(48-55)(49-50)(50-62)(51-54)(51-69)(52-53)(52-54)(53-61)(55-56)(56-62)(57-70)(57-71)(58-59)(58-60)(59-63)(60-64)(61-69)(61-70)(62-71)(63-65)(64-65)(66-75)(66-77)(67-75)(67-76)(68-76)(68-77)(69-80)(70-78)(71-79)(72-75)(72-81)(73-76)(73-81)(74-77)(74-81)(80-82)(81-82)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HEK29322— 10.1002/ejic.201601164 2017
A278048— 10.1002/ejic.201601164 2017
A2780cisR56— 10.1002/ejic.201601164 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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