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Complex #3779 — Ru(2) [4]

2D Structure

Structure
⬇ MOL V3000

Info

ID3779
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 7}
Abbreviation4
SMILESO=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccccn3)[nH]c21.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1

TUCAN

C68H43N7O2Ru/(1-44)(2-57)(3-48)(4-47)(5-69)(6-51)(7-52)(8-97)(9-98)(10-45)(11-46)(12-59)(13-50)(14-77)(15-80)(16-53)(17-54)(18-64)(19-56)(20-61)(21-71)(22-73)(23-70)(24-58)(25-49)(26-75)(27-60)(28-67)(29-79)(30-65)(31-63)(32-78)(33-100)(34-99)(35-55)(36-62)(37-72)(38-101)(39-68)(40-74)(41-66)(42-76)(43-112)(44-48)(44-81)(45-83)(45-97)(46-51)(46-81)(47-48)(47-51)(49-52)(49-56)(50-52)(50-91)(53-54)(53-87)(54-103)(55-58)(55-60)(56-61)(57-69)(57-82)(58-71)(59-85)(59-98)(60-73)(61-91)(62-67)(62-74)(63-78)(63-88)(64-89)(64-99)(65-66)(65-100)(66-76)(67-75)(68-94)(68-101)(69-84)(70-72)(70-86)(71-92)(72-93)(73-92)(74-79)(75-96)(76-108)(77-78)(77-80)(79-96)(80-95)(81-83)(82-83)(82-102)(84-85)(84-104)(85-91)(86-89)(86-105)(87-90)(87-111)(88-95)(88-111)(89-92)(90-107)(90-110)(93-94)(93-106)(94-96)(95-110)(97-113)(98-115)(99-116)(100-114)(101-117)(102-104)(102-113)(103-107)(103-118)(104-115)(105-106)(105-116)(106-117)(107-112)(108-109)(108-114)(109-112)(109-118)(110-119)(111-120)(113-121)(114-121)(115-121)(116-121)(117-121)(118-121)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa7.9— 10.1039/c3mt20270d 2013
BEL-740210— 10.1039/c3mt20270d 2013
HepG222— 10.1039/c3mt20270d 2013
A54928— 10.1039/c3mt20270d 2013
LO277— 10.1039/c3mt20270d 2013

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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