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Complex #2213 — Ru(2) [4d]

2D Structure

Structure
⬇ MOL V3000

Info

ID2213
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 5, "P": 1}
Abbreviation4d
SMILESC1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1

TUCAN

C40H42N5PRu/(1-50)(2-51)(3-53)(4-49)(5-73)(6-54)(7-56)(8-55)(9-58)(10-48)(11-46)(12-43)(13-43)(14-43)(15-72)(16-47)(17-44)(18-44)(19-44)(20-45)(21-45)(22-63)(23-45)(24-80)(25-80)(26-77)(27-60)(28-59)(29-57)(30-62)(31-52)(32-74)(33-61)(34-77)(35-78)(36-81)(37-81)(38-78)(39-79)(40-82)(41-82)(42-79)(43-71)(44-72)(45-72)(46-47)(46-71)(47-70)(48-49)(48-55)(49-54)(50-53)(50-64)(51-65)(51-73)(52-58)(52-60)(53-68)(54-66)(55-56)(56-66)(57-67)(57-74)(58-59)(59-69)(60-61)(61-69)(62-63)(62-71)(63-70)(64-65)(64-75)(65-66)(67-68)(67-69)(68-76)(70-72)(73-86)(74-87)(75-76)(75-86)(76-87)(77-83)(77-85)(78-83)(78-84)(79-84)(79-85)(80-83)(80-88)(81-84)(81-88)(82-85)(82-88)(86-89)(87-89)(88-89)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
U-87 MG0.93— 10.1039/d2ra02677e 2022
T98G0.94— 10.1039/d2ra02677e 2022
LN2290.96— 10.1039/d2ra02677e 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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