Info
| ID | 6455 |
| Metal | Os |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | 9a |
| SMILES | Cc1ccc(C(C)C)cc1.O=c1[nH]c2ccccc2nc1-c1nc2ccccc2[nH]1.[Cl-] |
TUCAN
C25H24N4OOs/(1-33)(2-26)(3-26)(4-42)(5-32)(6-31)(7-28)(8-29)(9-36)(10-38)(11-30)(12-35)(13-37)(14-39)(15-26)(16-25)(17-25)(18-27)(19-27)(20-25)(21-27)(22-34)(23-51)(24-50)(25-40)(26-42)(27-42)(28-29)(28-37)(29-30)(30-47)(31-38)(31-43)(32-33)(32-40)(33-41)(34-39)(34-41)(35-36)(35-46)(36-38)(37-45)(39-40)(41-42)(43-46)(43-52)(44-48)(44-49)(44-52)(45-47)(45-53)(46-50)(47-51)(48-51)(48-53)(49-50)(49-54)(52-55)(53-55)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| CH-1 | 0.92 | — | 10.1021/jm3000906 | 2012 |
| A549 | 3 | — | 10.1021/jm3000906 | 2012 |
| SW480 | 4.7 | — | 10.1021/jm3000906 | 2012 |
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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