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Complex #2528 — Ru(2) [Ru2]

2D Structure

Structure
⬇ MOL V3000

Info

ID2528
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
AbbreviationRu2
SMILESCc1ccnc(-c2cc(C=O)ccn2)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1

TUCAN

C60H42N6ORu/(1-44)(2-48)(3-46)(4-50)(5-52)(6-62)(7-53)(8-54)(9-65)(10-55)(11-60)(12-68)(13-64)(14-45)(15-69)(16-61)(17-71)(18-70)(19-90)(20-49)(21-72)(22-67)(23-63)(24-75)(25-95)(26-102)(27-73)(28-57)(29-51)(30-91)(31-59)(32-56)(33-92)(34-74)(35-94)(36-66)(37-47)(38-58)(39-93)(40-43)(41-43)(42-43)(43-76)(44-50)(44-52)(45-62)(45-65)(46-79)(46-90)(47-76)(47-95)(48-50)(48-80)(49-51)(49-77)(51-78)(52-54)(53-83)(53-91)(54-80)(55-62)(55-81)(56-66)(56-84)(57-85)(57-92)(58-76)(58-100)(59-86)(59-94)(60-65)(60-81)(61-68)(61-69)(63-87)(63-93)(64-68)(64-82)(66-89)(67-69)(67-82)(70-71)(70-72)(71-73)(72-74)(73-88)(74-88)(75-87)(75-99)(77-79)(77-96)(78-83)(78-97)(79-80)(81-83)(82-85)(84-85)(84-98)(86-88)(86-89)(87-102)(89-101)(90-103)(91-104)(92-105)(93-106)(94-107)(95-108)(96-97)(96-103)(97-104)(98-101)(98-105)(99-100)(99-106)(100-108)(101-107)(102-109)(103-110)(104-110)(105-110)(106-110)(107-110)(108-110)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MRC-5242.4 10.1021/acsabm.1c00151 2021
MRC-5245.6 10.1021/acsabm.1c00151 2021
A2780382.7 10.1021/acsabm.1c00151 2021
A2780383.3 10.1021/acsabm.1c00151 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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