Info
| ID | 5528 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 7} |
| Abbreviation | 2b |
| SMILES | CCCCn1c(-c2ccc3ccccc3n2)nc2cc(C(=O)OC)ccc21.FC(F)(F)c1ccc(Cn2c(-c3[c-]cccc3)nc3ccccc32)cc1.FC(F)(F)c1ccc(Cn2c(-c3[c-]cccc3)nc3ccccc32)cc1 |
TUCAN
C64H49F6IrN7O2/(1-59)(2-61)(3-64)(4-53)(5-82)(6-96)(7-69)(8-54)(9-83)(10-58)(11-70)(12-74)(13-62)(14-85)(15-76)(16-75)(17-63)(18-98)(19-87)(20-98)(21-72)(22-77)(23-87)(24-66)(25-65)(26-68)(27-96)(28-97)(29-71)(30-97)(31-67)(32-110)(33-73)(34-86)(35-50)(36-60)(37-55)(38-79)(39-78)(40-81)(41-84)(42-56)(43-80)(44-57)(45-50)(46-110)(47-110)(48-86)(49-50)(50-87)(51-56)(51-92)(52-57)(52-94)(53-54)(53-79)(54-59)(55-60)(55-80)(56-69)(57-70)(58-82)(58-92)(59-101)(60-68)(61-66)(61-88)(62-74)(62-104)(63-75)(63-85)(64-78)(64-88)(65-81)(65-93)(66-89)(67-84)(67-93)(68-102)(69-82)(70-83)(71-83)(71-94)(72-77)(72-106)(73-90)(73-100)(74-95)(75-105)(76-85)(76-95)(77-90)(78-89)(79-99)(80-103)(81-91)(84-91)(86-87)(86-98)(88-96)(89-112)(90-111)(91-113)(92-107)(93-97)(94-109)(95-105)(96-114)(97-115)(98-116)(99-101)(99-117)(100-106)(100-119)(101-114)(102-103)(102-115)(103-118)(104-108)(104-120)(105-120)(106-116)(107-114)(107-117)(108-116)(108-119)(109-115)(109-118)(110-122)(111-121)(111-122)(112-123)(112-124)(112-125)(113-126)(113-127)(113-128)(117-129)(118-129)(119-129)(120-129)(122-129)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 0.28 | — | 10.1039/C6CC07909A | 2016 |
| A2780cisR | 0.32 | — | 10.1039/C6CC07909A | 2016 |
| A2780 | 0.33 | — | 10.1039/C6CC07909A | 2016 |
| MCF-7 | 0.56 | — | 10.1039/C6CC07909A | 2016 |
| BGM | 10 | — | 10.1039/C6CC07909A | 2016 |
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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