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Complex #509 — Ru(2) [Ru-2a]

2D Structure

Structure
⬇ MOL V3000

Info

ID509
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 4}
AbbreviationRu-2a
SMILESCc1ccc(C(C)C)cc1.O=C(OC[C@H]1OC(n2cc(-c3ccccn3)nn2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1.[Cl-]

TUCAN

C51H46N4O9Ru/(1-85)(2-54)(3-56)(4-61)(5-73)(6-51)(7-91)(8-52)(9-50)(10-53)(11-62)(12-75)(13-84)(14-74)(15-55)(16-89)(17-66)(18-59)(19-67)(20-58)(21-72)(22-65)(23-92)(24-63)(25-71)(26-90)(27-70)(28-88)(29-69)(30-60)(31-64)(32-68)(33-88)(34-93)(35-48)(36-48)(37-47)(38-48)(39-57)(40-76)(41-49)(42-47)(43-83)(44-49)(45-47)(46-49)(47-78)(48-83)(49-83)(50-51)(50-58)(51-82)(52-53)(52-67)(53-77)(54-56)(54-78)(55-74)(55-75)(56-79)(57-76)(57-79)(58-60)(59-62)(59-81)(60-71)(61-65)(61-80)(62-73)(63-69)(63-77)(64-72)(64-81)(65-68)(66-70)(66-80)(67-69)(68-70)(71-82)(72-73)(74-84)(75-86)(76-78)(77-97)(79-83)(80-94)(81-96)(82-95)(84-100)(85-87)(85-98)(86-87)(86-100)(87-101)(88-92)(88-109)(89-90)(89-92)(89-106)(90-91)(90-107)(91-93)(91-108)(92-110)(93-98)(93-110)(94-102)(94-106)(95-103)(95-109)(96-104)(96-107)(97-105)(97-108)(98-99)(99-101)(100-111)(101-111)(109-111)(110-111)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A27800.9 10.3390/ijms221910454 2021
MCF-71.3 10.3390/ijms221910454 2021
ID81.5 10.3390/ijms221910454 2021
Capan-22.2 10.3390/ijms221910454 2021
U2512.8 10.3390/ijms221910454 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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