Info
| ID | 2420 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"S": 1, "O": 2, "N": 3} |
| Abbreviation | trans-[Ru(Hmel)2(dmso)2] |
| SMILES | CS(C)=O.CS(C)=O.Cc1cnc(N/C([O-])=C2\C(=O)c3ccccc3S(=O)(=O)N2C)s1.Cc1cnc(N/C([O-])=C2\C(=O)c3ccccc3S(=O)(=O)N2C)s1 |
TUCAN
C32H36N6O10RuS6/(1-50)(2-52)(3-50)(4-37)(5-43)(6-49)(7-38)(8-38)(9-50)(10-41)(11-39)(12-45)(13-59)(14-59)(15-59)(16-60)(17-60)(18-60)(19-61)(20-46)(21-49)(22-49)(23-51)(24-38)(25-42)(26-37)(27-37)(28-40)(29-44)(30-61)(31-61)(32-62)(33-62)(34-62)(35-70)(36-69)(37-66)(38-64)(39-40)(39-46)(40-47)(41-44)(41-48)(42-44)(42-45)(43-46)(43-65)(45-63)(47-55)(47-65)(48-56)(48-63)(49-72)(50-71)(51-64)(51-74)(52-66)(52-73)(53-55)(53-58)(53-72)(54-56)(54-57)(54-71)(55-75)(56-77)(57-69)(57-78)(58-70)(58-76)(59-88)(60-88)(61-89)(62-89)(63-86)(64-87)(65-90)(66-85)(67-69)(67-73)(67-85)(68-70)(68-74)(68-87)(71-86)(72-90)(73-91)(74-91)(79-86)(80-90)(81-88)(82-89)(83-86)(84-90)(87-91)(88-91)(89-91)(90-91)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| Jurkat | 25 | — | 10.1016/j.ica.2016.04.037 | 2017 |
| NB4 | 49 | — | 10.1016/j.ica.2016.04.037 | 2017 |
| CT-26 | 58 | — | 10.1016/j.ica.2016.04.037 | 2017 |
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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