home← all complexes Ir builderC^N familiesD-MPNN

Complex #650 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID650
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
Abbreviation2
SMILESClc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1Cl.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1

TUCAN

C67H42Cl2N8Ru/(1-44)(2-93)(3-52)(4-53)(5-49)(6-94)(7-55)(8-47)(9-46)(10-43)(11-50)(12-45)(13-51)(14-56)(15-48)(16-73)(17-54)(18-59)(19-64)(20-66)(21-63)(22-61)(23-58)(24-95)(25-60)(26-57)(27-98)(28-68)(29-72)(30-74)(31-71)(32-62)(33-65)(34-76)(35-67)(36-77)(37-69)(38-70)(39-75)(40-97)(41-96)(42-111)(43-44)(43-46)(44-78)(45-46)(45-52)(47-50)(47-80)(48-53)(48-58)(49-79)(49-93)(50-82)(51-73)(51-87)(52-78)(53-81)(54-55)(54-58)(55-81)(56-57)(56-86)(57-71)(59-64)(59-92)(60-85)(60-94)(61-92)(61-108)(62-65)(62-97)(63-66)(63-84)(64-109)(65-83)(66-96)(67-71)(67-74)(68-88)(68-95)(69-75)(69-76)(70-75)(70-77)(72-90)(72-98)(73-89)(74-86)(76-91)(77-91)(78-79)(79-80)(80-99)(81-85)(82-85)(82-100)(83-104)(83-106)(84-103)(84-105)(86-88)(87-88)(87-101)(89-90)(89-102)(90-91)(92-107)(93-112)(94-113)(95-114)(96-116)(97-110)(98-115)(99-100)(99-112)(100-113)(101-102)(101-114)(102-115)(103-104)(103-117)(104-111)(105-106)(105-116)(106-110)(107-111)(107-117)(108-109)(108-118)(109-119)(112-120)(113-120)(114-120)(115-120)(116-120)(117-120)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HCT-1167.7— 10.1016/j.jinorgbio.2023.11232... 2023
B1612— 10.1016/j.jinorgbio.2023.11232... 2023
A54917— 10.1016/j.jinorgbio.2023.11232... 2023
HeLa21— 10.1016/j.jinorgbio.2023.11232... 2023
HOS21— 10.1016/j.jinorgbio.2023.11232... 2023
HepG263— 10.1016/j.jinorgbio.2023.11232... 2023
HEEC—— 10.1016/j.jinorgbio.2023.11232... 2023

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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