Info
| ID | 5667 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | Ir-7 |
| SMILES | Cc1c(C)c(C)[c-](C)c1C.O=C(OC[C@H]1O[C@@H](n2cc(-c3ccc4ccccc4n3)nn2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1.[Cl-] |
TUCAN
C55ClIrN4O9/(1-32)(2-33)(3-36)(4-37)(5-41)(6-12)(6-27)(7-9)(7-19)(8-14)(8-34)(9-13)(10-11)(10-16)(11-40)(12-35)(13-26)(14-20)(15-21)(15-35)(16-22)(17-18)(17-44)(18-23)(19-38)(20-25)(21-27)(22-28)(23-24)(24-39)(25-31)(26-38)(28-40)(29-30)(29-39)(30-45)(31-34)(32-33)(32-36)(33-37)(34-55)(35-54)(36-41)(37-41)(38-53)(39-44)(40-52)(42-43)(42-58)(43-45)(43-57)(44-56)(45-56)(46-50)(46-68)(47-48)(47-51)(47-64)(48-49)(48-65)(49-50)(49-66)(50-67)(51-58)(51-67)(52-61)(52-64)(53-60)(53-65)(54-62)(54-66)(55-63)(55-68)(57-59)(58-59)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| ID8 | 0.8 | — | 10.3389/fchem.2023.1086267 | 2023 |
| A2780 | 0.89 | — | 10.3389/fchem.2023.1086267 | 2023 |
| A2780cisR | 1.5 | — | 10.3389/fchem.2023.1086267 | 2023 |
| Saos-2 | 1.6 | — | 10.3389/fchem.2023.1086267 | 2023 |
| Capan-2 | 1.9 | — | 10.3389/fchem.2023.1086267 | 2023 |
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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