Info
| ID | 115 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"O": 1, "N": 2} |
| Abbreviation | 6 |
| SMILES | Cc1ccc(C(C)C)cc1.[Cl-].[O-]/C(=N\N=C/c1cccs1)c1ccc(Cl)cc1 |
TUCAN
C22H22ClN2ORuS/(1-29)(2-28)(3-23)(4-23)(5-24)(6-23)(7-27)(8-26)(9-42)(10-35)(11-40)(12-33)(13-34)(14-32)(15-24)(16-24)(17-39)(18-25)(19-30)(20-25)(21-25)(22-31)(23-36)(24-39)(25-39)(26-27)(26-38)(27-44)(28-29)(28-36)(29-37)(30-31)(30-37)(31-36)(32-33)(32-38)(33-44)(34-35)(34-42)(35-43)(37-39)(38-41)(40-43)(40-46)(41-45)(41-47)(42-48)(43-48)(44-49)(45-46)(45-50)(46-50)(48-50)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 10 | — | 10.1016/j.jorganchem.2018.01.0... | 2018 |
| HeLa | 15 | — | 10.1016/j.jorganchem.2018.01.0... | 2018 |
| HepG2 | 18 | — | 10.1016/j.jorganchem.2018.01.0... | 2018 |
| NIH-3T3 | 2.4e+02 | — | 10.1016/j.jorganchem.2018.01.0... | 2018 |
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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