Info
| ID | 5414 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir-SPH |
| SMILES | [c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(Sc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1 |
TUCAN
C47H32IrN6S/(1-43)(2-57)(3-44)(4-36)(5-55)(6-41)(7-69)(8-50)(9-42)(10-51)(11-70)(12-38)(13-45)(14-61)(15-67)(16-47)(17-68)(18-53)(19-40)(20-39)(21-48)(22-56)(23-35)(24-46)(25-54)(26-37)(27-59)(28-60)(29-52)(30-49)(31-58)(32-81)(33-41)(33-63)(34-50)(34-66)(35-47)(35-54)(36-55)(36-78)(37-46)(37-65)(38-47)(38-79)(39-53)(39-62)(40-54)(40-79)(41-43)(42-43)(42-57)(44-45)(44-51)(45-69)(46-68)(48-56)(48-78)(49-50)(49-60)(51-71)(52-59)(52-61)(53-67)(55-64)(56-64)(57-63)(58-60)(58-66)(59-76)(61-70)(62-74)(62-75)(63-71)(64-77)(65-72)(65-73)(66-76)(67-82)(68-80)(69-83)(70-85)(71-83)(72-75)(72-80)(73-74)(73-81)(74-84)(75-82)(76-85)(77-81)(77-84)(78-86)(79-86)(82-87)(83-87)(84-87)(85-87)(86-87)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 7.1 | 0.028 | 10.1039/C9CC04871E | 2019 |
| A549cisR | 7.6 | 0.018 | 10.1039/C9CC04871E | 2019 |
| HLF | 18 | 0.6 | 10.1039/C9CC04871E | 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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