Info
| ID | 1727 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"N": 1, "O": 1} |
| Abbreviation | 5a |
| SMILES | CCOC(=O)[C@H](Cc1ccccc1)NC(C)=O.COc1cc(-c2oc3ccccc3c(=O)c2[O-])cc(OC)c1OC.[Cl-] |
TUCAN
C31H32NO9Ru/(1-34)(2-53)(3-40)(4-52)(5-42)(6-41)(7-34)(8-43)(9-36)(10-33)(11-33)(12-33)(13-34)(14-53)(15-51)(16-51)(17-53)(18-39)(19-35)(20-52)(21-51)(22-52)(23-38)(24-44)(25-45)(26-50)(27-54)(28-54)(29-37)(30-46)(31-46)(32-64)(33-54)(34-62)(35-39)(35-47)(36-38)(36-48)(37-45)(37-48)(38-44)(39-42)(40-42)(40-60)(41-49)(41-56)(43-49)(43-58)(44-45)(46-48)(46-50)(47-59)(47-60)(49-57)(50-63)(50-64)(51-72)(52-69)(53-71)(54-73)(55-57)(55-59)(55-67)(56-61)(56-72)(57-70)(58-61)(58-69)(59-66)(60-70)(61-71)(62-64)(62-68)(63-65)(63-73)(72-74)(73-74)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| NCI-H460 | 5.9 | — | 10.1021/acs.inorgchem.8b01187 | 2018 |
| SW480 | 8.1 | — | 10.1021/acs.inorgchem.8b01187 | 2018 |
| HCT-116 | 8.3 | — | 10.1021/acs.inorgchem.8b01187 | 2018 |
| SiHa | 20 | — | 10.1021/acs.inorgchem.8b01187 | 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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