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Complex #863 — Ru(2) [Complex (2)]

2D Structure

Structure
⬇ MOL V3000

Info

ID863
MetalRu
Oxidation state2
Charge1
Donor atoms{"O": 1, "N": 2, "P": 2}
AbbreviationComplex (2)
SMILESO=C([O-])/C=C/c1ccc(C(F)(F)F)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

TUCAN

C48H42F3N2O2P2Ru/(1-43)(2-44)(3-47)(4-75)(5-75)(6-46)(7-50)(8-52)(9-45)(10-55)(11-67)(12-68)(13-49)(14-85)(15-85)(16-76)(17-56)(18-51)(19-76)(20-73)(21-72)(22-48)(23-53)(24-57)(25-62)(26-60)(27-61)(28-86)(29-86)(30-66)(31-58)(32-59)(33-64)(34-63)(35-69)(36-65)(37-79)(38-71)(39-70)(40-54)(41-80)(42-74)(43-44)(43-45)(44-87)(45-46)(46-47)(47-87)(48-53)(48-81)(49-68)(49-77)(50-52)(50-88)(51-56)(51-88)(52-62)(53-54)(54-79)(55-67)(55-77)(56-62)(57-60)(57-89)(58-61)(58-89)(59-63)(59-90)(60-66)(61-66)(63-69)(64-65)(64-90)(65-69)(67-83)(68-78)(70-71)(70-74)(71-82)(72-73)(72-78)(73-77)(74-80)(75-76)(75-85)(76-86)(78-84)(79-91)(80-92)(81-82)(81-91)(82-92)(83-93)(83-94)(84-95)(84-96)(84-97)(85-98)(86-99)(87-98)(88-98)(89-99)(90-99)(91-100)(92-100)(98-100)(99-100)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
CHL-13 10.1039/d1nj04291b 2022
HT-1443.2 10.1039/d1nj04291b 2022
SK-MEL-1476.5 10.1039/d1nj04291b 2022
WM13667.2 10.1039/d1nj04291b 2022
NGM7.5 10.1039/d1nj04291b 2022
CCD-1059Sk9.7 10.1039/d1nj04291b 2022
FB114 10.1039/d1nj04291b 2022

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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