home← all complexes Ir builderC^N familiesD-MPNN

Complex #786 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID786
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 2, "S": 1, "P": 4}
Abbreviation2
SMILESCn1ccnc1[S-].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

TUCAN

C56H53N2P4RuS/(1-54)(2-58)(3-59)(4-97)(5-55)(6-61)(7-57)(8-62)(9-60)(10-56)(11-97)(12-98)(13-63)(14-64)(15-66)(16-69)(17-70)(18-98)(19-71)(20-68)(21-72)(22-73)(23-77)(24-65)(25-67)(26-94)(27-78)(28-80)(29-74)(30-76)(31-83)(32-84)(33-75)(34-99)(35-99)(36-82)(37-88)(38-90)(39-79)(40-81)(41-85)(42-87)(43-86)(44-89)(45-91)(46-92)(47-93)(48-100)(49-100)(50-95)(51-96)(52-94)(53-94)(54-56)(54-58)(55-56)(55-59)(57-61)(57-64)(58-101)(59-101)(60-62)(60-64)(61-102)(62-102)(63-65)(63-69)(65-66)(66-70)(67-68)(67-72)(68-71)(69-103)(70-103)(71-104)(72-73)(73-104)(74-76)(74-77)(75-76)(75-78)(77-105)(78-105)(79-80)(79-82)(80-106)(81-82)(81-83)(83-106)(84-87)(84-107)(85-89)(85-107)(86-91)(86-108)(87-88)(88-89)(90-91)(90-92)(92-93)(93-108)(94-110)(95-96)(95-111)(96-110)(97-98)(97-112)(98-113)(99-100)(99-114)(100-115)(101-112)(102-112)(103-113)(104-113)(105-114)(106-114)(107-115)(108-115)(109-110)(109-111)(109-116)(111-117)(112-117)(113-117)(114-117)(115-117)

Measurements (9)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MDA-MB-2310.08— 10.1021/acs.inorgchem.1c01539 2021
A27800.11— 10.1016/j.jinorgbio.2024.11281... 2024
A2780cisR0.12— 10.1016/j.jinorgbio.2024.11281... 2024
A5490.12— 10.1021/acs.inorgchem.1c01539 2021
MRC-50.71— 10.1016/j.jinorgbio.2024.11281... 2024
MRC-50.81— 10.1021/acs.inorgchem.1c01539 2021
DU-1451.5— 10.1021/acs.inorgchem.1c01539 2021
MCF-75.2— 10.1021/acs.inorgchem.1c01539 2021
HepG25.8— 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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