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Complex #85 — Ru(2) [[Ru(DIP)2(mor)](OTf)]

2D Structure

Structure
⬇ MOL V3000

Info

ID85
MetalRu
Oxidation state2
Charge1
Donor atoms{"O": 1, "N": 4}
Abbreviation[Ru(DIP)2(mor)](OTf)
SMILESO=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc([O-])c12.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1

TUCAN

C63H41N4O7Ru/(1-43)(2-89)(3-46)(4-52)(5-47)(6-90)(7-42)(8-50)(9-58)(10-91)(11-49)(12-59)(13-44)(14-53)(15-65)(16-45)(17-71)(18-54)(19-61)(20-63)(21-60)(22-67)(23-48)(24-64)(25-51)(26-68)(27-69)(28-73)(29-74)(30-72)(31-70)(32-56)(33-62)(34-92)(35-57)(36-66)(37-55)(38-111)(39-113)(40-115)(41-112)(42-43)(42-76)(43-44)(44-46)(45-47)(45-50)(46-49)(47-59)(48-56)(48-77)(49-76)(50-65)(51-58)(51-60)(52-75)(52-89)(53-78)(53-90)(54-98)(54-101)(55-97)(55-100)(56-80)(57-64)(57-70)(58-67)(59-81)(60-68)(61-79)(61-91)(62-66)(62-82)(63-83)(63-92)(64-69)(65-81)(66-84)(67-85)(68-85)(69-86)(70-73)(71-74)(71-100)(72-101)(72-104)(73-86)(74-88)(75-76)(75-77)(77-93)(78-80)(78-81)(79-82)(79-85)(80-94)(82-95)(83-84)(83-86)(84-96)(87-98)(87-102)(87-104)(88-97)(88-103)(89-105)(90-106)(91-107)(92-108)(93-94)(93-105)(94-106)(95-96)(95-107)(96-108)(97-113)(98-109)(99-102)(99-103)(99-115)(100-112)(101-111)(102-110)(103-114)(104-114)(105-116)(106-116)(107-116)(108-116)(115-116)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MCF-7 10.1021/acs.inorgchem.9b03562 2020
FaDu 10.1021/acs.inorgchem.9b03562 2020
MDA-MB-435S 10.1021/acs.inorgchem.9b03562 2020
U-87 MG 10.1021/acs.inorgchem.9b03562 2020
RPE-1 10.1021/acs.inorgchem.9b03562 2020
HEK293 10.1021/acs.inorgchem.9b03562 2020

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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