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Complex #826 — Ru(2) [Ru0]

2D Structure

Structure
⬇ MOL V3000

Info

ID826
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 1, "P": 2}
AbbreviationRu0
SMILESCC(C)N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]

TUCAN

C37H41NP2Ru/(1-50)(2-43)(3-49)(4-43)(5-47)(6-43)(7-42)(8-59)(9-51)(10-42)(11-44)(12-42)(13-53)(14-54)(15-66)(16-48)(17-44)(18-57)(19-52)(20-55)(21-44)(22-56)(23-58)(24-60)(25-61)(26-65)(27-62)(28-45)(29-45)(30-45)(31-74)(32-46)(33-46)(34-68)(35-63)(36-64)(37-73)(38-67)(39-69)(40-46)(41-70)(42-72)(43-73)(44-73)(45-74)(46-74)(47-48)(47-72)(48-71)(49-50)(49-53)(50-51)(51-75)(52-53)(52-75)(54-55)(54-59)(55-76)(56-57)(56-76)(57-59)(58-60)(58-77)(60-66)(61-62)(61-66)(62-77)(63-64)(63-72)(64-71)(65-68)(65-70)(67-69)(67-70)(68-78)(69-78)(71-73)(74-79)(75-80)(76-80)(77-81)(78-81)(79-80)(79-81)(80-82)(81-82)

Measurements (8)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MCF-70.3 10.3390/pharmaceutics13101559 2021
T47D0.45 10.3390/pharmaceutics13101559 2021
SK-BR-30.7 10.3390/pharmaceutics13101559 2021
BT-4740.8 10.3390/pharmaceutics13101559 2021
C60.8 10.1039/c7dt03369a 2017
A27801 10.1039/c7dt03369a 2017
A2780cisR2.2 10.1039/c7dt03369a 2017
SH-SY5Y4 10.1039/c7dt03369a 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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