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Complex #2679 — Ru(2) [3]

2D Structure

Structure
⬇ MOL V3000

Info

ID2679
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
Abbreviation3
SMILESC1=CC2CC1CC2c1nc2c3cccnc3c3ncccc3c2[nH]1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1

TUCAN

C56H64N8Ru/(1-65)(2-65)(3-65)(4-78)(5-66)(6-66)(7-77)(8-66)(9-106)(10-67)(11-67)(12-67)(13-68)(14-68)(15-68)(16-69)(17-69)(18-83)(19-84)(20-108)(21-69)(22-70)(23-70)(24-70)(25-71)(26-71)(27-79)(28-71)(29-80)(30-72)(31-81)(32-107)(33-72)(34-72)(35-110)(36-86)(37-87)(38-99)(39-91)(40-91)(41-100)(42-92)(43-92)(44-73)(45-101)(46-88)(47-89)(48-73)(49-82)(50-73)(51-74)(52-90)(53-74)(54-74)(55-109)(56-85)(57-75)(58-75)(59-75)(60-111)(61-76)(62-76)(63-76)(64-122)(65-102)(66-102)(67-102)(68-103)(69-103)(70-103)(71-104)(72-104)(73-104)(74-105)(75-105)(76-105)(77-93)(77-106)(78-93)(78-112)(79-94)(79-107)(80-94)(80-114)(81-95)(81-115)(82-95)(82-109)(83-84)(83-97)(84-108)(85-96)(85-111)(86-87)(86-110)(87-98)(88-89)(88-101)(89-100)(90-96)(90-116)(91-99)(91-100)(92-100)(92-101)(93-102)(94-103)(95-104)(96-105)(97-113)(97-117)(98-118)(98-119)(99-101)(99-120)(106-123)(107-124)(108-121)(109-125)(110-126)(111-128)(112-114)(112-123)(113-119)(113-122)(114-124)(115-116)(115-125)(116-128)(117-118)(117-121)(118-126)(119-127)(120-122)(120-127)(123-129)(124-129)(125-129)(126-129)(127-129)(128-129)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
BEL-74026.5— 10.1007/s11243-018-0264-y 2018
SGC-79018.2— 10.1007/s11243-018-0264-y 2018
PC-1211— 10.1007/s11243-018-0264-y 2018
SiHa12— 10.1007/s11243-018-0264-y 2018
HeLa22— 10.1007/s11243-018-0264-y 2018
A54936— 10.1007/s11243-018-0264-y 2018
HepG237— 10.1007/s11243-018-0264-y 2018

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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