Info
| ID | 4983 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir-1S |
| SMILES | CCCCNC(=S)Nc1nc2ccccc2[nH]1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C34H32IrN6S/(1-41)(2-36)(3-58)(4-48)(5-37)(6-59)(7-39)(8-47)(9-54)(10-55)(11-60)(12-54)(13-53)(14-52)(15-45)(16-55)(17-33)(18-46)(19-49)(20-44)(21-51)(22-38)(23-33)(24-40)(25-50)(26-43)(27-42)(28-33)(29-60)(30-68)(31-69)(32-67)(33-55)(34-36)(34-56)(35-40)(35-57)(36-47)(37-38)(37-58)(38-39)(39-61)(40-49)(41-47)(41-48)(42-50)(42-63)(43-49)(43-51)(44-50)(44-59)(45-52)(45-64)(46-52)(46-53)(48-56)(51-57)(53-62)(54-55)(54-60)(56-61)(57-63)(58-70)(59-72)(60-67)(61-70)(62-64)(62-71)(63-72)(64-68)(65-68)(65-69)(65-71)(66-67)(66-69)(66-73)(70-74)(71-74)(72-74)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| EFO-27 | 13 | — | 10.1002/cmdc.201900591 | 2019 |
| EFO-21 | 14 | — | 10.1002/cmdc.201900591 | 2019 |
| EFO-21CDDP2000 | 16 | — | 10.1002/cmdc.201900591 | 2019 |
| EFO-27CDDP2000 | 16 | — | 10.1002/cmdc.201900591 | 2019 |
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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