Info
| ID | 5552 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir-TEMPO1 |
| SMILES | Cc1ccnc(-c2cc(C(=O)NC3CC(C)(C)N([O])C(C)(C)C3)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C43H43IrN6O2/(1-45)(2-53)(3-62)(4-52)(5-75)(6-55)(7-60)(8-65)(9-45)(10-45)(11-67)(12-78)(13-46)(14-46)(15-57)(16-51)(17-63)(18-44)(19-46)(20-59)(21-47)(22-47)(23-69)(24-69)(25-83)(26-44)(27-47)(28-76)(29-70)(30-68)(31-64)(32-56)(33-66)(34-58)(35-48)(36-48)(37-70)(38-77)(39-54)(40-61)(41-44)(42-48)(43-87)(44-71)(45-84)(46-84)(47-85)(48-85)(49-60)(49-73)(50-63)(50-74)(51-53)(51-55)(52-57)(52-60)(53-79)(54-56)(54-62)(55-75)(56-78)(57-65)(58-71)(58-76)(59-72)(59-80)(61-66)(61-67)(62-82)(63-67)(64-71)(64-81)(65-73)(66-74)(68-72)(68-77)(69-83)(69-84)(70-83)(70-85)(72-86)(73-79)(74-82)(75-89)(76-90)(77-92)(78-91)(79-89)(80-81)(80-92)(81-90)(82-91)(83-87)(84-88)(85-88)(86-87)(86-93)(88-94)(89-95)(90-95)(91-95)(92-95)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780cisR | 8.6 | — | 10.1039/C7SC03216A | 2017 |
| A549 | 14 | — | 10.1039/C7SC03216A | 2017 |
| A2780 | 14 | — | 10.1039/C7SC03216A | 2017 |
| PC-3 | 16 | — | 10.1039/C7SC03216A | 2017 |
| MRC-5 | 33 | — | 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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