Info
| ID | 4904 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir1 |
| SMILES | [c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12.c1cc2ccc3ccc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)c4ccc(c1)c2c34 |
TUCAN
C55H32IrN6/(1-47)(2-56)(3-54)(4-46)(5-52)(6-39)(7-55)(8-41)(9-59)(10-57)(11-50)(12-37)(13-40)(14-49)(15-42)(16-58)(17-78)(18-79)(19-51)(20-77)(21-43)(22-38)(23-45)(24-36)(25-35)(26-44)(27-53)(28-61)(29-80)(30-60)(31-48)(32-89)(33-39)(33-62)(34-59)(34-67)(35-53)(35-79)(36-43)(36-73)(37-44)(37-65)(38-46)(38-72)(39-47)(40-47)(40-75)(41-56)(41-64)(42-48)(42-76)(43-68)(44-73)(45-52)(45-77)(46-63)(48-59)(49-55)(49-64)(50-51)(50-54)(51-72)(52-69)(53-74)(54-68)(55-75)(56-78)(57-60)(57-66)(58-61)(58-76)(60-80)(61-66)(62-75)(62-81)(63-65)(63-71)(64-81)(65-87)(66-86)(67-76)(67-86)(68-70)(69-82)(69-83)(70-71)(70-72)(71-73)(74-84)(74-85)(77-91)(78-90)(79-88)(80-93)(81-90)(82-84)(82-91)(83-85)(83-92)(84-88)(85-89)(86-93)(87-89)(87-92)(90-94)(91-94)(92-94)(93-94)
Measurements (8)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| SGC-7901 | — | — | 10.1016/j.jinorgbio.2021.11162... | 2021 |
| HepG2 | — | — | 10.1016/j.jinorgbio.2021.11162... | 2021 |
| BEL-7402 | — | — | 10.1016/j.jinorgbio.2021.11162... | 2021 |
| A549 | — | — | 10.1016/j.jinorgbio.2021.11162... | 2021 |
| HeLa | — | — | 10.1016/j.jinorgbio.2021.11162... | 2021 |
| B16 | — | — | 10.1016/j.jinorgbio.2021.11162... | 2021 |
| LO2 | — | — | 10.1016/j.jinorgbio.2021.11162... | 2021 |
| NIH-3T3 | — | — | 10.1016/j.jinorgbio.2021.11162... | 2021 |
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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