Info
| ID | 5020 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 2, "O": 1} |
| Abbreviation | 4f |
| SMILES | CCCCn1c(-c2[c-]cc([N+](=O)[O-])cc2)nc2cc(C(=O)OC)ccc21.Cc1c(C)c(C)[c-](C)c1C.[Cl-] |
TUCAN
C29H33IrN3O4/(1-56)(2-34)(3-34)(4-34)(5-61)(6-42)(7-35)(8-35)(9-35)(10-36)(11-61)(12-36)(13-36)(14-38)(15-38)(16-38)(17-39)(18-39)(19-61)(20-41)(21-39)(22-37)(23-37)(24-48)(25-37)(26-47)(27-47)(28-48)(29-43)(30-46)(31-44)(32-45)(33-56)(34-49)(35-50)(36-52)(37-48)(38-53)(39-54)(40-46)(40-55)(41-42)(41-57)(42-51)(43-51)(43-58)(44-45)(44-55)(45-59)(46-59)(47-48)(47-56)(49-50)(49-52)(50-53)(51-62)(52-54)(53-54)(55-60)(56-63)(57-58)(57-63)(58-65)(59-64)(60-63)(60-65)(61-69)(62-66)(62-69)(64-67)(64-68)(65-70)(69-70)
Measurements (8)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| EA.hy926 | 2 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| A2780 | 2.3 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| A427 | 2.3 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| LCLC-103H | 3.5 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| SISO | 3.6 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| A2780cisR | 3.8 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| 5637 | 5.2 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| HT-29 | 5.7 | — | 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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