Info
| ID | 4958 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | 1c |
| SMILES | CCNC(=O)c1ccnc(-c2cc(C)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C36H31IrN5O/(1-45)(2-37)(3-42)(4-58)(5-47)(6-43)(7-39)(8-49)(9-60)(10-40)(11-36)(12-61)(13-33)(14-33)(15-53)(16-32)(17-33)(18-62)(19-32)(20-44)(21-50)(22-46)(23-38)(24-62)(25-59)(26-41)(27-48)(28-51)(29-32)(30-52)(31-68)(32-62)(33-57)(34-39)(34-55)(35-48)(35-56)(36-38)(36-43)(37-42)(37-47)(38-63)(39-42)(40-46)(40-51)(41-50)(41-65)(43-58)(44-57)(44-66)(45-54)(45-64)(46-48)(47-55)(49-50)(49-61)(51-56)(52-54)(52-59)(53-57)(53-60)(54-67)(55-63)(56-65)(58-69)(59-71)(60-72)(61-70)(62-68)(63-69)(64-66)(64-71)(65-70)(66-72)(67-68)(67-73)(69-74)(70-74)(71-74)(72-74)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 15 | — | 10.1002/chem.201000474 | 2010 |
| HeLa | 21 | — | 10.1016/j.biomaterials.2013.06... | 2013 |
| HeLa | 26 | — | 10.1021/ic902443e | 2010 |
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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