Info
| ID | 4902 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | 4 |
| SMILES | COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccnc(-c4cc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)ccn4)c3)cc2)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C72H58IrN6O4/(1-109)(2-123)(3-63)(4-69)(5-85)(6-72)(7-61)(8-73)(9-123)(10-68)(11-123)(12-78)(13-75)(14-64)(15-84)(16-89)(17-124)(18-62)(19-67)(20-77)(21-74)(22-99)(23-80)(24-88)(25-65)(26-94)(27-79)(28-95)(29-112)(30-87)(31-102)(32-81)(33-76)(34-70)(35-83)(36-90)(37-124)(38-124)(39-125)(40-97)(41-100)(42-125)(43-111)(44-110)(45-86)(46-125)(47-93)(48-71)(49-126)(50-126)(51-101)(52-98)(53-92)(54-96)(55-91)(56-126)(57-82)(58-66)(59-62)(59-103)(60-66)(60-104)(61-63)(61-109)(62-68)(63-69)(64-65)(64-103)(65-68)(66-71)(67-70)(67-104)(69-113)(70-71)(72-73)(72-128)(73-118)(74-78)(74-120)(75-85)(75-114)(76-84)(76-122)(77-88)(77-114)(78-108)(79-107)(79-117)(80-90)(80-108)(81-89)(81-128)(82-106)(82-116)(83-106)(83-112)(84-105)(85-127)(86-93)(86-122)(87-94)(87-115)(88-127)(89-118)(90-120)(91-102)(91-115)(92-107)(92-111)(93-105)(94-129)(95-99)(95-121)(96-99)(96-110)(97-100)(97-130)(98-101)(98-130)(100-119)(101-119)(102-129)(103-113)(104-121)(105-106)(107-108)(109-133)(110-134)(111-136)(112-135)(113-133)(114-131)(115-131)(116-117)(116-135)(117-136)(118-132)(119-132)(120-132)(121-134)(122-131)(123-137)(124-138)(125-139)(126-140)(127-137)(128-139)(129-138)(130-140)(133-141)(134-141)(135-141)(136-141)(139-141)(140-141)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 11 | — | 10.1016/j.jinorgbio.2019.11075... | 2019 |
| BEAS-2B | — | — | 10.1016/j.jinorgbio.2019.11075... | 2019 |
| 16HBE | — | — | 10.1016/j.jinorgbio.2019.11075... | 2019 |
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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