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Complex #1229 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID1229
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
Abbreviation1
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.c1ccc(-c2nc3ccc(-c4ccc5nc6c7cccnc7c7ncccc7c6nc5c4)cc3nc2-c2ccccc2)cc1

TUCAN

C62H46N10Ru/(1-55)(2-52)(3-51)(4-68)(5-47)(6-53)(7-56)(8-90)(9-47)(10-58)(11-66)(12-75)(13-47)(14-60)(15-61)(16-48)(17-57)(18-89)(19-70)(20-64)(21-94)(22-69)(23-54)(24-65)(25-73)(26-74)(27-59)(28-72)(29-67)(30-71)(31-76)(32-91)(33-62)(34-63)(35-92)(36-77)(37-78)(38-48)(39-48)(40-93)(41-49)(42-49)(43-49)(44-50)(45-50)(46-50)(47-80)(48-82)(49-87)(50-88)(51-64)(51-79)(52-53)(52-85)(53-58)(54-59)(54-89)(55-80)(55-90)(56-80)(56-96)(57-82)(57-97)(58-60)(59-81)(60-67)(61-82)(61-91)(62-87)(62-92)(63-88)(63-93)(64-94)(65-86)(65-103)(66-68)(66-86)(67-85)(68-105)(69-70)(69-74)(70-83)(71-84)(71-101)(72-75)(72-107)(73-74)(73-76)(75-84)(76-83)(77-87)(77-100)(78-88)(78-108)(79-98)(79-106)(81-95)(81-99)(83-102)(84-86)(85-104)(89-110)(90-113)(91-114)(92-116)(93-118)(94-112)(95-98)(95-109)(96-97)(96-113)(97-114)(98-115)(99-106)(99-110)(100-108)(100-116)(101-107)(101-111)(102-104)(102-117)(103-105)(103-109)(104-111)(105-115)(106-112)(107-117)(108-118)(113-119)(114-119)(115-119)(116-119)(117-119)(118-119)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A5493.9— 10.1016/j.jphotobiol.2016.02.0... 2016
BEL-74024.9— 10.1016/j.jphotobiol.2016.02.0... 2016
MG-6310— 10.1016/j.jphotobiol.2016.02.0... 2016
HepG211— 10.1016/j.jphotobiol.2016.02.0... 2016
HeLa57— 10.1016/j.jphotobiol.2016.02.0... 2016

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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