Info
| ID | 5567 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | 2 |
| SMILES | ClCc1ccnc(-c2cc(CCl)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C34H26Cl2IrN4/(1-51)(2-31)(3-42)(4-43)(5-37)(6-33)(7-38)(8-29)(9-30)(10-53)(11-40)(12-52)(13-59)(14-59)(15-32)(16-60)(17-46)(18-60)(19-44)(20-41)(21-45)(22-54)(23-35)(24-36)(25-34)(26-39)(27-33)(27-47)(28-36)(28-48)(29-31)(29-42)(30-43)(30-55)(31-33)(32-49)(32-52)(34-41)(34-45)(35-44)(35-57)(36-41)(37-43)(37-51)(38-44)(38-53)(39-50)(39-54)(40-49)(40-56)(42-47)(45-48)(46-50)(46-58)(47-55)(48-57)(49-59)(50-60)(51-61)(52-63)(53-62)(54-64)(55-61)(56-58)(56-63)(57-62)(58-64)(59-65)(60-66)(61-67)(62-67)(63-67)(64-67)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 0.33 | — | 10.1039/C6SC02901A | 2017 |
| A549 | 0.4 | — | 10.1039/C6SC02901A | 2017 |
| HeLa | 0.52 | — | 10.1039/C6SC02901A | 2017 |
| A549cisR | 0.64 | — | 10.1039/C6SC02901A | 2017 |
| PC-3 | 1.4 | — | 10.1039/C6SC02901A | 2017 |
| LO2 | 4.5 | — | 10.1039/C6SC02901A | 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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