Info
| ID | 5098 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 7} |
| Abbreviation | Ir-S |
| SMILES | Cc1ccnc(-c2cc(/C=N/Oc3ccc4nsnc4c3)ccn2)c1.[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1 |
TUCAN
C36H25IrN7OS3/(1-26)(2-38)(3-43)(4-58)(5-41)(6-31)(7-59)(8-35)(9-42)(10-29)(11-46)(12-34)(13-40)(14-26)(15-33)(16-47)(17-50)(18-48)(19-30)(20-26)(21-32)(22-49)(23-37)(24-36)(25-39)(26-44)(27-31)(27-60)(28-30)(28-61)(29-34)(29-51)(30-59)(31-58)(32-33)(32-35)(33-46)(34-43)(35-53)(36-44)(36-50)(37-45)(37-47)(38-40)(38-52)(39-45)(39-54)(40-57)(41-44)(41-55)(42-56)(42-57)(43-49)(45-48)(46-67)(47-62)(48-68)(49-65)(50-66)(51-60)(51-65)(52-56)(52-64)(53-61)(53-67)(54-55)(54-62)(55-66)(56-63)(57-69)(58-71)(59-70)(60-71)(61-70)(63-72)(64-72)(65-73)(66-73)(67-73)(68-69)(68-73)(69-73)(71-73)(72-73)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HUVEC | 1.1 | — | 10.1039/D0DT02064H | 2020 |
| HeLa | 1.3 | — | 10.1039/D0DT02064H | 2020 |
| WI-38 | 3 | — | 10.1039/D0DT02064H | 2020 |
| E6E7 | 3.8 | — | 10.1039/D0DT02064H | 2020 |
| SiHa | 5.2 | — | 10.1039/D0DT02064H | 2020 |
| R-HeLa | 7.1 | — | 10.1039/D0DT02064H | 2020 |
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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