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Complex #3926 — Ru(2) [Ru4]

2D Structure

Structure
⬇ MOL V3000

Info

ID3926
MetalRu
Oxidation state2
Charge1
Donor atoms{"S": 1, "N": 1, "P": 4}
AbbreviationRu4
SMILESO=C(O)c1ccc([S-])nc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

TUCAN

C58H52NO2P4RuS/(1-57)(2-58)(3-53)(4-64)(5-54)(6-55)(7-60)(8-56)(9-75)(10-81)(11-61)(12-84)(13-62)(14-98)(15-98)(16-65)(17-66)(18-59)(19-67)(20-85)(21-63)(22-70)(23-68)(24-72)(25-99)(26-99)(27-74)(28-77)(29-78)(30-100)(31-100)(32-90)(33-80)(34-73)(35-76)(36-82)(37-79)(38-93)(39-86)(40-87)(41-94)(42-89)(43-83)(44-88)(45-101)(46-101)(47-92)(48-91)(49-71)(50-96)(51-69)(52-113)(53-57)(53-64)(54-58)(54-64)(55-60)(55-75)(56-61)(56-75)(57-102)(58-102)(59-62)(59-81)(60-103)(61-103)(62-104)(63-65)(63-81)(65-104)(66-68)(66-105)(67-74)(67-105)(68-84)(69-71)(69-110)(70-77)(70-106)(71-95)(72-78)(72-106)(73-80)(73-107)(74-84)(76-82)(76-107)(77-85)(78-85)(79-86)(79-108)(80-90)(82-90)(83-87)(83-108)(86-93)(87-93)(88-89)(88-109)(89-94)(91-92)(91-94)(92-109)(95-96)(95-97)(96-111)(97-112)(97-113)(98-99)(98-114)(99-115)(100-101)(100-116)(101-117)(102-114)(103-114)(104-115)(105-115)(106-116)(107-116)(108-117)(109-117)(110-111)(110-118)(111-119)(113-119)(114-119)(115-119)(116-119)(117-119)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A5491— 10.1021/acs.inorgchem.1c01539 2021
MDA-MB-2312— 10.1021/acs.inorgchem.1c01539 2021
DU-1455.9— 10.1021/acs.inorgchem.1c01539 2021
MCF-79— 10.1021/acs.inorgchem.1c01539 2021
MRC-520— 10.1021/acs.inorgchem.1c01539 2021
HepG225— 10.1021/acs.inorgchem.1c01539 2021

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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