home← all complexes Ir builderC^N familiesD-MPNN

Complex #1385 — Ru(2) [3]

2D Structure

Structure
⬇ MOL V3000

Info

ID1385
MetalRu
Oxidation state2
Charge-2
Donor atoms{"O": 2, "N": 3}
Abbreviation3
SMILESO=S(=O)([O-])c1cccc(-c2ccnc3c2ccc2c(-c4cccc(S(=O)(=O)[O-])c4)ccnc23)c1.O=S(=O)([O-])c1cccc(-c2ccnc3c2ccc2c(-c4cccc(S(=O)(=O)[O-])c4)ccnc23)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1

TUCAN

C72H44N6O12RuS4/(1-45)(2-47)(3-52)(4-60)(5-55)(6-46)(7-51)(8-101)(9-49)(10-65)(11-48)(12-74)(13-50)(14-67)(15-69)(16-59)(17-80)(18-105)(19-103)(20-73)(21-64)(22-57)(23-71)(24-70)(25-79)(26-53)(27-61)(28-63)(29-76)(30-66)(31-62)(32-72)(33-82)(34-77)(35-78)(36-54)(37-102)(38-68)(39-81)(40-56)(41-58)(42-104)(43-75)(44-106)(45-52)(45-87)(46-86)(46-101)(47-49)(47-63)(48-65)(48-87)(49-84)(50-69)(50-113)(51-85)(51-113)(52-60)(53-61)(53-84)(54-88)(54-114)(55-62)(55-89)(56-98)(56-115)(57-71)(57-114)(58-99)(58-116)(59-90)(59-102)(60-65)(61-63)(62-92)(64-95)(64-104)(66-72)(66-115)(67-69)(67-85)(68-75)(68-94)(70-71)(70-88)(72-76)(73-97)(73-103)(74-80)(74-93)(75-96)(76-98)(77-78)(77-81)(78-99)(79-91)(79-105)(80-83)(81-116)(82-100)(82-106)(83-97)(83-109)(84-97)(85-86)(86-89)(87-91)(88-90)(89-107)(90-92)(91-93)(92-108)(93-111)(94-95)(94-110)(95-98)(96-100)(96-112)(99-100)(101-118)(102-120)(103-119)(104-121)(105-117)(106-122)(107-108)(107-118)(108-120)(109-111)(109-119)(110-112)(110-121)(111-117)(112-122)(113-135)(114-136)(115-137)(116-138)(118-139)(119-139)(120-139)(121-139)(122-139)(123-135)(124-135)(125-135)(126-136)(127-136)(128-136)(129-137)(130-137)(131-137)(132-138)(133-138)(134-138)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MDA-MB-231—— 10.1016/j.jphotochem.2017.10.0... 2018
MCF-7—— 10.1016/j.jphotochem.2017.10.0... 2018
B16—— 10.1016/j.jphotochem.2017.10.0... 2018
SF—— 10.1016/j.jphotochem.2017.10.0... 2018
ML2—— 10.1016/j.jphotochem.2017.10.0... 2018
Caco-2—— 10.1016/j.jphotochem.2017.10.0... 2018

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
Loading source metadata…
The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.