Info
| ID | 4990 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 2} |
| Abbreviation | 5 |
| SMILES | Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[Cl-].c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C27H25IrN2/(1-36)(2-35)(3-37)(4-26)(5-26)(6-26)(7-33)(8-27)(9-27)(10-38)(11-49)(12-31)(13-50)(14-30)(15-39)(16-32)(17-40)(18-29)(19-34)(20-27)(21-28)(22-28)(23-28)(24-29)(25-29)(26-42)(27-43)(28-44)(29-47)(30-31)(30-49)(31-41)(32-39)(32-50)(33-35)(33-45)(34-37)(34-45)(35-36)(36-37)(38-40)(38-41)(39-48)(40-48)(41-51)(42-43)(42-46)(43-44)(44-47)(45-46)(46-47)(48-52)(49-53)(50-54)(51-52)(51-53)(52-54)(53-55)(54-55)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780 | 6.7 | — | 10.1021/jm2000932 | 2011 |
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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