Info
| ID | 165 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 5, "O": 1} |
| Abbreviation | Ru-Sora |
| SMILES | CNC(=O)c1cc(Oc2ccc(NC([O-])=Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1 |
TUCAN
C41H31ClF3N8O3Ru/(1-32)(2-55)(3-33)(4-56)(5-43)(6-35)(7-38)(8-40)(9-34)(10-46)(11-58)(12-59)(13-50)(14-36)(15-57)(16-45)(17-54)(18-42)(19-51)(20-37)(21-44)(22-54)(23-47)(24-52)(25-54)(26-49)(27-39)(28-41)(29-48)(30-74)(31-73)(32-33)(32-35)(33-60)(34-38)(34-40)(35-55)(36-39)(36-50)(37-41)(37-51)(38-61)(39-62)(40-56)(41-63)(42-57)(42-68)(43-46)(43-64)(44-45)(44-67)(45-65)(46-72)(47-49)(47-67)(48-53)(48-64)(49-65)(50-58)(51-59)(52-66)(52-68)(53-71)(53-72)(54-73)(55-76)(56-77)(57-80)(58-78)(59-79)(60-61)(60-76)(61-77)(62-63)(62-78)(63-79)(64-75)(65-74)(66-69)(66-80)(67-83)(68-83)(69-73)(69-81)(70-74)(70-75)(70-82)(71-84)(71-85)(71-86)(72-87)(75-88)(76-88)(77-88)(78-88)(79-88)(80-88)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HepG2 | — | 7.9 | 10.1021/acs.jmedchem.2c00880 | 2022 |
| HepG2-SR | — | 6.4 | 10.1021/acs.jmedchem.2c00880 | 2022 |
| LO2 | — | 37 | 10.1021/acs.jmedchem.2c00880 | 2022 |
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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