Info
| ID | 5097 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | Ir-CHO |
| SMILES | Cc1ccnc(-c2cc(C=O)ccn2)c1.[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1 |
TUCAN
C30H22IrN4OS2/(1-30)(2-49)(3-40)(4-35)(5-31)(6-26)(7-23)(8-43)(9-28)(10-34)(11-33)(12-42)(13-27)(14-37)(15-48)(16-23)(17-41)(18-36)(19-32)(20-50)(21-29)(22-23)(23-38)(24-26)(24-51)(25-33)(25-52)(26-49)(27-31)(27-40)(28-38)(28-43)(29-39)(29-46)(30-39)(30-41)(31-35)(32-36)(32-37)(33-50)(34-38)(34-47)(35-44)(36-42)(37-45)(39-48)(40-53)(41-56)(42-55)(43-54)(44-51)(44-53)(45-52)(45-55)(46-47)(46-56)(47-54)(48-57)(49-58)(50-59)(51-58)(52-59)(53-60)(54-60)(55-60)(56-60)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HUVEC | 20 | — | 10.1039/D0DT02064H | 2020 |
| HeLa | 28 | — | 10.1039/D0DT02064H | 2020 |
| SiHa | 30 | — | 10.1039/D0DT02064H | 2020 |
| R-HeLa | — | — | 10.1039/D0DT02064H | 2020 |
| WI-38 | — | — | 10.1039/D0DT02064H | 2020 |
| E6E7 | — | — | 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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