Info
| ID | 5553 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 8} |
| Abbreviation | Ir-TEMPO2 |
| SMILES | CC1(C)CC(NC(=O)c2ccnc(-c3cc(C(=O)NC4CC(C)(C)N([O])C(C)(C)C4)ccn3)c2)CC(C)(C)N1[O].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C52H58IrN8O4/(1-59)(2-59)(3-74)(4-59)(5-77)(6-79)(7-95)(8-71)(9-69)(10-60)(11-60)(12-82)(13-60)(14-61)(15-61)(16-75)(17-78)(18-61)(19-62)(20-96)(21-87)(22-87)(23-88)(24-62)(25-62)(26-88)(27-103)(28-63)(29-63)(30-63)(31-64)(32-81)(33-64)(34-104)(35-64)(36-89)(37-80)(38-84)(39-65)(40-85)(41-89)(42-65)(43-73)(44-76)(45-97)(46-65)(47-66)(48-90)(49-98)(50-66)(51-72)(52-90)(53-66)(54-70)(55-83)(56-86)(57-111)(58-112)(59-105)(60-105)(61-106)(62-106)(63-107)(64-107)(65-108)(66-108)(67-70)(67-91)(68-83)(68-92)(69-74)(69-99)(70-73)(71-74)(71-95)(72-85)(72-100)(73-75)(75-77)(76-78)(76-83)(77-91)(78-79)(79-92)(80-93)(80-97)(81-93)(81-101)(82-85)(82-96)(84-94)(84-102)(86-94)(86-98)(87-103)(87-105)(88-103)(88-106)(89-104)(89-107)(90-104)(90-108)(91-99)(92-100)(93-109)(94-110)(95-115)(96-116)(97-117)(98-118)(99-115)(100-116)(101-102)(101-117)(102-118)(103-111)(104-112)(105-113)(106-113)(107-114)(108-114)(109-111)(109-119)(110-112)(110-120)(113-121)(114-122)(115-123)(116-123)(117-123)(118-123)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| PC-3 | 0.53 | — | 10.1039/C7SC03216A | 2017 |
| A2780cisR | 2.6 | — | 10.1039/C7SC03216A | 2017 |
| A2780 | 3 | — | 10.1039/C7SC03216A | 2017 |
| A549 | 7.5 | — | 10.1039/C7SC03216A | 2017 |
| MRC-5 | 8.2 | — | 10.1039/C7SC03216A | 2017 |
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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