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Complex #6539 — Os(2) [9]

2D Structure

Structure
⬇ MOL V3000

Info

ID6539
MetalOs
Oxidation state2
Charge2
Donor atoms{"N": 8}
Abbreviation9
SMILESNc1ccnc(-c2cc(N)ccn2)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1

TUCAN

C58H42N8Os/(1-46)(2-44)(3-45)(4-43)(5-49)(6-65)(7-47)(8-53)(9-48)(10-51)(11-63)(12-52)(13-64)(14-56)(15-68)(16-66)(17-74)(18-67)(19-57)(20-50)(21-72)(22-62)(23-90)(24-71)(25-91)(26-59)(27-73)(28-70)(29-87)(30-54)(31-88)(32-55)(33-58)(34-89)(35-69)(36-92)(37-60)(38-61)(39-101)(40-101)(41-102)(42-102)(43-75)(43-87)(44-45)(44-46)(45-77)(46-47)(47-49)(48-76)(48-88)(49-77)(50-54)(50-79)(51-53)(51-80)(52-63)(52-80)(53-65)(54-83)(55-78)(55-89)(56-64)(56-81)(57-66)(57-81)(58-60)(58-85)(59-90)(59-94)(60-86)(61-91)(61-97)(62-67)(62-82)(63-65)(64-68)(66-68)(67-74)(69-84)(69-92)(70-72)(70-82)(71-94)(71-98)(72-74)(73-97)(73-100)(75-77)(75-79)(76-80)(76-83)(78-81)(78-85)(79-93)(82-84)(83-95)(84-86)(85-96)(86-99)(87-103)(88-104)(89-105)(90-107)(91-108)(92-106)(93-95)(93-103)(94-101)(95-104)(96-99)(96-105)(97-102)(98-100)(98-107)(99-106)(100-108)(103-109)(104-109)(105-109)(106-109)(107-109)(108-109)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A2780621.3 10.1002/anie.202218347 2022
RPE-1762.9 10.1002/anie.202218347 2022
A549—5.1 10.1039/d3sc03932c 2023
MDA-MB-231—1.6 10.1039/d3sc03932c 2023
RPE-1—— 10.1039/d3sc03932c 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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