Info
| ID | 2686 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 5} |
| Abbreviation | 1 |
| SMILES | c1ccc(-c2cc3ccccc3s2)nc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C37H25N5RuS/(1-30)(2-51)(3-29)(4-38)(5-33)(6-52)(7-39)(8-28)(9-45)(10-36)(11-31)(12-41)(13-42)(14-32)(15-26)(16-55)(17-27)(18-37)(19-53)(20-34)(21-54)(22-40)(23-43)(24-35)(25-44)(26-27)(26-28)(27-55)(28-60)(29-38)(29-51)(30-31)(30-46)(31-48)(32-34)(32-49)(33-41)(33-52)(34-50)(35-37)(35-44)(36-47)(36-62)(37-61)(38-46)(39-42)(39-53)(40-43)(40-54)(41-48)(42-49)(43-50)(44-45)(45-47)(46-56)(47-61)(48-57)(49-58)(50-59)(51-63)(52-64)(53-65)(54-66)(55-67)(56-57)(56-63)(57-64)(58-59)(58-65)(59-66)(60-62)(60-67)(61-68)(62-68)(63-69)(64-69)(65-69)(66-69)(67-69)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780 | 2.2 | — | 10.1016/j.jinorgbio.2022.11205... | 2023 |
| COLO-205 | 7.9 | — | 10.1016/j.jinorgbio.2022.11205... | 2023 |
| MRC-5 | 48 | — | 10.1016/j.jinorgbio.2022.11205... | 2023 |
| COLO-320 | 74 | — | 10.1016/j.jinorgbio.2022.11205... | 2023 |
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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