Info
| ID | 4868 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir1 |
| SMILES | Clc1ccc(-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C47H31ClIrN6/(1-67)(2-38)(3-39)(4-42)(5-36)(6-34)(7-58)(8-35)(9-70)(10-46)(11-55)(12-37)(13-48)(14-43)(15-49)(16-45)(17-56)(18-59)(19-50)(20-68)(21-41)(22-47)(23-53)(24-52)(25-51)(26-44)(27-69)(28-54)(29-57)(30-40)(31-80)(32-38)(32-60)(33-45)(33-61)(34-36)(34-39)(35-46)(35-67)(36-60)(37-47)(37-70)(38-39)(40-48)(40-61)(41-57)(41-69)(42-49)(42-78)(43-58)(43-62)(44-50)(44-68)(45-55)(46-53)(47-54)(48-55)(49-65)(50-66)(51-59)(51-62)(52-56)(52-65)(53-71)(54-72)(56-78)(57-64)(58-63)(59-63)(60-71)(61-72)(62-77)(63-65)(64-75)(64-76)(66-73)(66-74)(67-81)(68-82)(69-79)(70-84)(71-81)(72-84)(73-76)(73-83)(74-75)(74-82)(75-79)(76-80)(77-80)(77-83)(78-85)(81-86)(82-86)(83-86)(84-86)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| SGC-7901 | 42 | — | 10.1016/j.jinorgbio.2022.11186... | 2022 |
| HeLa | 44 | — | 10.1016/j.jinorgbio.2022.11186... | 2022 |
| A549 | — | — | 10.1016/j.jinorgbio.2022.11186... | 2022 |
| HepG2 | — | — | 10.1016/j.jinorgbio.2022.11186... | 2022 |
| BEL-7402 | — | — | 10.1016/j.jinorgbio.2022.11186... | 2022 |
| LO2 | — | — | 10.1016/j.jinorgbio.2022.11186... | 2022 |
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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