Info
| ID | 4699 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"N": 1, "O": 1} |
| Abbreviation | 3a |
| SMILES | Cc1ccc(C(C)C)cc1.N=C(c1ccccc1)c1c([O-])c2ccccc2oc1=O.[Cl-] |
TUCAN
C26H24NO3Ru/(1-33)(2-46)(3-26)(4-29)(5-26)(6-30)(7-35)(8-34)(9-32)(10-31)(11-37)(12-39)(13-38)(14-36)(15-28)(16-26)(17-25)(18-25)(19-27)(20-27)(21-25)(22-40)(23-27)(24-51)(25-44)(26-46)(27-46)(28-29)(28-44)(29-45)(30-40)(30-45)(31-35)(31-36)(32-34)(32-37)(33-34)(33-42)(35-41)(36-39)(37-38)(38-42)(39-48)(40-44)(41-48)(41-49)(42-47)(43-47)(43-49)(43-50)(45-46)(47-51)(48-54)(49-52)(50-53)(50-54)(51-55)(54-55)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HL60 | 5.4e+02 | — | 10.1016/j.ica.2016.10.036 | 2016 |
| WM115 | 6.5e+02 | — | 10.1016/j.ica.2016.10.036 | 2016 |
| NALM6 | 7.3e+02 | — | 10.1016/j.ica.2016.10.036 | 2016 |
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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