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Complex #2619 — Ru(2) [3]

2D Structure

Structure
⬇ MOL V3000

Info

ID2619
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 2, "S": 1, "P": 2}
Abbreviation3
SMILESNc1cc(N)nc([S-])n1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

TUCAN

C54H49N4P4RuS/(1-61)(2-53)(3-54)(4-52)(5-56)(6-50)(7-55)(8-59)(9-51)(10-62)(11-66)(12-102)(13-67)(14-73)(15-57)(16-76)(17-58)(18-77)(19-63)(20-78)(21-64)(22-79)(23-68)(24-102)(25-70)(26-65)(27-74)(28-72)(29-75)(30-80)(31-101)(32-71)(33-82)(34-69)(35-60)(36-86)(37-81)(38-85)(39-101)(40-88)(41-83)(42-84)(43-89)(44-90)(45-87)(46-104)(47-104)(48-105)(49-105)(50-52)(50-76)(51-62)(51-63)(52-61)(53-54)(53-56)(54-55)(55-57)(56-93)(57-93)(58-59)(58-94)(59-80)(60-72)(60-94)(61-95)(62-66)(63-67)(64-65)(64-69)(65-68)(66-96)(67-96)(68-97)(69-70)(70-97)(71-81)(71-98)(72-80)(73-76)(73-95)(74-78)(74-99)(75-79)(75-99)(77-78)(77-79)(81-86)(82-85)(82-98)(83-88)(83-100)(84-89)(84-100)(85-86)(87-91)(87-92)(88-90)(89-90)(91-104)(91-106)(92-105)(92-107)(93-109)(94-109)(95-108)(96-110)(97-110)(98-111)(99-108)(100-111)(101-108)(101-109)(102-110)(102-111)(103-106)(103-107)(103-112)(106-113)(107-113)(109-113)(110-113)(111-113)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MCF-71.3— 10.1039/d5qi00546a 2025
HT-291.5— 10.1002/cbic.202400734 2025
MDA-MB-2311.6— 10.1039/d5qi00546a 2025
MCF-10A1.9— 10.1039/d5qi00546a 2025
RPE-13.6— 10.1002/cbic.202400734 2025
A54914— 10.1002/cbic.202400734 2025
CT-2615— 10.1002/cbic.202400734 2025

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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