Info
| ID | 3899 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"O": 2, "N": 4} |
| Abbreviation | RBS |
| SMILES | O=C([O-])CCC(=O)[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1 |
TUCAN
C24H20N4O4Ru/(1-35)(2-36)(3-22)(4-21)(5-23)(6-37)(7-38)(8-26)(9-31)(10-32)(11-33)(12-33)(13-24)(14-25)(15-27)(16-28)(17-29)(18-30)(19-34)(20-34)(21-22)(21-23)(22-35)(23-39)(24-25)(24-26)(25-36)(26-40)(27-28)(27-31)(28-37)(29-30)(29-38)(30-32)(31-41)(32-42)(33-34)(33-43)(34-44)(35-45)(36-46)(37-47)(38-48)(39-40)(39-45)(40-46)(41-42)(41-47)(42-48)(43-49)(43-50)(44-51)(44-52)(45-53)(46-53)(47-53)(48-53)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 21 | — | 10.1016/j.inoche.2012.08.009 | 2012 |
| HUVEC | 24 | — | 10.1016/j.inoche.2012.08.009 | 2012 |
| MCF-7 | 26 | — | 10.1016/j.inoche.2012.08.009 | 2012 |
| CNE-2Z | 60 | — | 10.1016/j.inoche.2012.08.009 | 2012 |
| HepG2 | 63 | — | 10.1016/j.inoche.2012.08.009 | 2012 |
| Hs88 | — | — | 10.1016/j.inoche.2012.08.009 | 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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