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Complex #5821 — Ir(3) [3a]

2D Structure

Structure
⬇ MOL V3000

Info

ID5821
MetalIr
Oxidation state3
Charge2
Donor atoms{"N": 6}
Abbreviation3a
SMILESC=C/[C-]=C(\C)c1nc2ccccc2[nH]1.C=C/[C-]=C(\C)c1nc2ccccc2[nH]1.CCCCn1c(-c2ccc3ccccc3n2)nc2cc(C(=O)NCCCNC(=O)C[n+]3ccc(/C(C#N)=C4/C=C(C)c5ccc(N(CC)CC)cc5O4)cc3)ccc21

TUCAN

C71H71IrN12O3/(1-108)(2-83)(3-86)(4-122)(5-107)(6-76)(7-88)(8-72)(9-72)(10-74)(11-109)(12-82)(13-76)(14-124)(15-121)(16-89)(17-84)(18-76)(19-75)(20-119)(21-109)(22-123)(23-77)(24-92)(25-122)(26-126)(27-95)(28-120)(29-77)(30-103)(31-79)(32-102)(33-77)(34-94)(35-93)(36-124)(37-121)(38-104)(39-79)(40-126)(41-98)(42-125)(43-75)(44-79)(45-108)(46-107)(47-125)(48-85)(49-96)(50-75)(51-91)(52-97)(53-123)(54-90)(55-99)(56-74)(57-73)(58-74)(59-101)(60-100)(61-106)(62-78)(63-78)(64-78)(65-87)(66-105)(67-73)(68-145)(69-144)(70-146)(71-147)(72-84)(73-87)(74-110)(75-113)(76-121)(77-125)(78-112)(79-109)(80-84)(80-110)(81-87)(81-112)(82-114)(82-119)(83-113)(83-140)(85-116)(85-129)(86-131)(86-139)(88-89)(88-127)(89-100)(90-99)(90-128)(91-93)(91-130)(92-114)(92-120)(93-116)(94-95)(94-131)(95-115)(96-102)(96-132)(97-98)(97-117)(98-133)(99-105)(100-101)(101-134)(102-103)(103-104)(104-117)(105-106)(106-135)(107-123)(107-124)(108-109)(108-126)(110-136)(111-114)(111-118)(111-140)(112-137)(113-115)(115-139)(116-142)(117-132)(118-143)(119-148)(120-148)(121-149)(122-141)(122-148)(123-145)(124-144)(125-149)(126-150)(127-134)(127-146)(128-135)(128-147)(129-130)(129-153)(130-150)(131-149)(132-154)(133-138)(133-154)(134-151)(135-152)(136-146)(136-151)(137-147)(137-152)(138-150)(138-153)(139-157)(140-157)(141-145)(141-156)(142-144)(142-155)(151-158)(152-158)(153-158)(154-158)(157-158)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A37518 10.1021/acs.jmedchem.3c00189 2023
SK-MEL-281.5 10.1021/acs.jmedchem.3c00189 2023
HeLa8.6 10.1021/acs.jmedchem.3c00189 2023
A27801.1 10.1021/acs.jmedchem.3c00189 2023
A2780cisR0.7 10.1021/acs.jmedchem.3c00189 2023