home← all complexes Ir builderC^N familiesD-MPNN

Complex #13 — Ru(2) [5]

2D Structure

Structure
⬇ MOL V3000

Info

ID13
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 5, "P": 1}
Abbreviation5
SMILESC1N2CN3CN1CP(C2)C3.CC#N.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1cnn([BH-](n2cccn2)n2cccn2)c1

TUCAN

C35H40BN10P2Ru/(1-41)(2-66)(3-43)(4-62)(5-45)(6-49)(7-52)(8-65)(9-47)(10-46)(11-51)(12-48)(13-54)(14-58)(15-50)(16-59)(17-68)(18-74)(19-74)(20-68)(21-75)(22-75)(23-76)(24-76)(25-69)(26-53)(27-44)(28-67)(29-60)(30-57)(31-64)(32-63)(33-55)(34-56)(35-69)(36-42)(37-70)(38-42)(39-70)(40-42)(41-82)(41-83)(41-84)(42-61)(43-62)(43-66)(44-64)(44-65)(45-46)(45-71)(46-47)(47-48)(48-49)(49-71)(50-51)(50-52)(51-53)(52-72)(53-54)(54-72)(55-57)(55-58)(56-57)(56-59)(58-73)(59-73)(60-63)(60-67)(61-77)(62-82)(63-84)(64-83)(65-81)(66-85)(67-86)(68-78)(68-79)(69-78)(69-80)(70-79)(70-80)(71-87)(72-87)(73-87)(74-78)(74-88)(75-79)(75-88)(76-80)(76-88)(81-83)(82-85)(84-86)(85-89)(86-89)(87-89)(88-89)

Measurements (8)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MCF-74.2 10.1039/C0DT00206B 2010
SF-2684.3 10.1039/C0DT00206B 2010
NCI-H4604.6 10.1039/C0DT00206B 2010
MCF-74.7 10.1039/C0DT00206B 2010
SF-2684.8 10.1039/C0DT00206B 2010
NCI-H4605.1 10.1039/C0DT00206B 2010
HUVEC24 10.1039/C0DT00206B 2010
HUVEC67 10.1039/C0DT00206B 2010

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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