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Complex #2429 — Ru(2) [5]

2D Structure

Structure
⬇ MOL V3000

Info

ID2429
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 4, "S": 1, "P": 2}
Abbreviation5
SMILESO=c1[nH]c([S-])nc2ccccc12.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

TUCAN

C46H41N4OP2RuS/(1-43)(2-47)(3-42)(4-53)(5-55)(6-46)(7-81)(8-72)(9-66)(10-45)(11-81)(12-72)(13-48)(14-59)(15-73)(16-51)(17-75)(18-82)(19-52)(20-54)(21-60)(22-73)(23-82)(24-58)(25-56)(26-57)(27-61)(28-62)(29-64)(30-65)(31-63)(32-69)(33-67)(34-49)(35-44)(36-71)(37-68)(38-76)(39-50)(40-70)(41-88)(42-43)(42-83)(43-46)(44-49)(44-77)(45-47)(45-83)(46-47)(48-53)(48-84)(49-51)(50-70)(50-79)(51-75)(52-53)(52-55)(54-55)(54-84)(56-59)(56-85)(57-60)(57-85)(58-59)(58-60)(61-62)(61-86)(62-65)(63-64)(63-86)(64-65)(66-69)(66-74)(67-68)(67-76)(68-71)(69-70)(71-78)(72-73)(72-81)(73-82)(74-79)(74-80)(75-90)(76-91)(77-78)(77-90)(78-91)(79-89)(80-88)(80-92)(81-93)(82-94)(83-93)(84-93)(85-94)(86-94)(87-88)(87-89)(87-95)(89-96)(90-96)(91-96)(93-96)(94-96)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MDA-MB-2310.56— 10.1039/C9DT01905G 2019
A5493.2— 10.1039/C9DT01905G 2019
MCF-74.8— 10.1039/C9DT01905G 2019
MRC-55.3— 10.1039/C9DT01905G 2019
DU-1455.9— 10.1039/C9DT01905G 2019
HepG27.5— 10.1039/C9DT01905G 2019

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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