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Complex #2141 — Ru(2) [2a]

2D Structure

Structure
⬇ MOL V3000

Info

ID2141
MetalRu
Oxidation state2
Charge1
Donor atoms{"O": 1, "N": 2, "P": 2}
Abbreviation2a
SMILESCC(C)/C=C/C1=C([O-])C(=O)c2ccccc2C1=O.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

TUCAN

C53H49N2O3P2Ru/(1-90)(2-84)(3-91)(4-84)(5-53)(6-54)(7-52)(8-60)(9-85)(10-97)(11-66)(12-68)(13-56)(14-50)(15-50)(16-50)(17-58)(18-97)(19-85)(20-59)(21-67)(22-98)(23-57)(24-61)(25-62)(26-55)(27-78)(28-77)(29-70)(30-63)(31-71)(32-64)(33-98)(34-65)(35-73)(36-75)(37-69)(38-74)(39-76)(40-72)(41-89)(42-81)(43-80)(44-79)(45-83)(46-82)(47-51)(48-51)(49-51)(50-89)(51-89)(52-53)(52-60)(53-54)(54-99)(55-56)(55-86)(56-89)(57-62)(57-87)(58-60)(58-99)(59-66)(59-100)(61-62)(61-82)(63-67)(63-100)(64-70)(64-101)(65-71)(65-101)(66-68)(67-68)(69-70)(69-71)(72-74)(72-76)(73-74)(73-102)(75-76)(75-102)(77-78)(77-79)(78-90)(79-92)(80-81)(80-83)(81-91)(82-88)(83-93)(84-85)(84-97)(85-98)(86-94)(86-95)(87-88)(87-96)(88-94)(90-103)(91-104)(92-93)(92-103)(93-104)(94-106)(95-96)(95-107)(96-105)(97-108)(98-109)(99-108)(100-108)(101-109)(102-109)(103-110)(104-110)(108-110)(109-110)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MDA-MB-2310.14— 10.1039/d0dt01091j 2020
MCF-70.21— 10.1039/d0dt01091j 2020
MCF-10A0.33— 10.1039/d0dt01091j 2020
DU-1450.56— 10.1039/d0dt01091j 2020

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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