Info
| ID | 5870 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir-PNA |
| SMILES | Cc1cn(CC(=O)N(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CCC(=O)NCCCCc2ccnc3c2ccc2cccnc23)C(=O)Cn2cnc3c(N)ncnc32)C(=O)Cn2cnc3c(=O)[nH]c(N)nc32)C(=O)Cn2ccc(N)nc2=O)CC(N)=O)c(=O)[nH]c1=O.[c-]1ccccc1-c1ccc... |
TUCAN
C85IrN29O14/(1-34)(2-3)(2-22)(3-59)(4-9)(4-13)(5-29)(5-36)(6-9)(6-18)(7-10)(7-48)(8-11)(8-21)(10-31)(11-35)(12-17)(12-25)(13-30)(14-27)(14-74)(15-17)(15-26)(16-23)(16-33)(18-30)(19-20)(19-24)(20-62)(21-29)(22-38)(23-31)(24-49)(25-32)(26-32)(27-72)(28-57)(28-67)(29-33)(30-59)(31-63)(32-62)(33-60)(34-55)(34-76)(35-95)(36-94)(37-79)(37-111)(38-90)(39-54)(39-105)(40-73)(40-113)(41-81)(41-109)(42-44)(42-106)(43-52)(43-97)(44-108)(45-82)(45-107)(46-77)(46-114)(47-78)(47-110)(48-91)(49-96)(50-83)(50-108)(51-80)(51-112)(52-113)(53-56)(53-103)(54-114)(55-112)(56-107)(57-110)(58-70)(58-75)(58-93)(59-90)(60-63)(60-94)(61-68)(61-69)(61-100)(62-96)(63-91)(64-93)(64-111)(65-99)(65-102)(66-100)(66-109)(67-87)(67-98)(68-89)(68-99)(69-102)(69-109)(70-104)(70-111)(71-88)(71-101)(71-104)(72-97)(72-128)(73-103)(73-117)(74-95)(74-119)(75-101)(75-123)(76-92)(76-126)(77-86)(77-116)(78-108)(78-124)(79-107)(79-118)(80-114)(80-121)(81-113)(81-122)(82-106)(82-120)(83-105)(83-127)(84-92)(84-112)(84-115)(85-98)(85-110)(85-125)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | — | 18 | 10.1021/acs.inorgchem.4c05359 | 2025 |
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.
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