Info
| ID | 5016 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 2} |
| Abbreviation | 4b |
| SMILES | CCCCn1c(-c2[c-]cc(C)cc2)nc2cc(C(=O)OC)ccc21.Cc1c(C)c(C)[c-](C)c1C.[Cl-] |
TUCAN
C30H36IrN2O2/(1-43)(2-37)(3-37)(4-37)(5-38)(6-45)(7-46)(8-48)(9-38)(10-38)(11-39)(12-39)(13-39)(14-40)(15-40)(16-40)(17-52)(18-52)(19-51)(20-51)(21-61)(22-61)(23-41)(24-43)(25-43)(26-49)(27-41)(28-41)(29-65)(30-42)(31-42)(32-47)(33-65)(34-65)(35-42)(36-50)(37-53)(38-54)(39-55)(40-56)(41-52)(42-57)(43-59)(44-49)(44-60)(45-46)(45-58)(46-62)(47-58)(47-63)(48-50)(48-59)(49-59)(50-60)(51-52)(51-61)(53-54)(53-55)(54-56)(55-57)(56-57)(58-66)(60-64)(61-67)(62-63)(62-67)(63-68)(64-67)(64-68)(65-70)(66-69)(66-70)(68-71)(70-71)
Measurements (8)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780 | 3.6 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| A2780cisR | 5.7 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| A427 | 7.2 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| HT-29 | 8.7 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| 5637 | 9.4 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| SISO | 14 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| LCLC-103H | 15 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| EA.hy926 | — | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
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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The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.