Info
| ID | 1931 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 2} |
| Abbreviation | 13 |
| SMILES | Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1 |
TUCAN
C34H30N2Ru/(1-34)(2-39)(3-44)(4-32)(5-37)(6-32)(7-60)(8-40)(9-43)(10-49)(11-35)(12-42)(13-61)(14-45)(15-41)(16-62)(17-46)(18-51)(19-47)(20-48)(21-31)(22-38)(23-32)(24-36)(25-33)(26-31)(27-31)(28-33)(29-33)(30-50)(31-52)(32-60)(33-60)(34-35)(34-44)(35-53)(36-37)(36-52)(37-54)(38-50)(38-54)(39-43)(39-56)(40-58)(40-61)(41-42)(41-53)(42-44)(43-57)(45-46)(45-49)(46-55)(47-51)(47-55)(48-59)(48-62)(49-51)(50-52)(53-58)(54-60)(55-59)(56-58)(56-63)(57-59)(57-64)(61-65)(62-66)(63-64)(63-65)(64-66)(65-67)(66-67)
Measurements (8)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 0.4 | — | 10.1016/j.jinorgbio.2015.07.01... | 2015 |
| A2780 | 0.5 | — | 10.1007/s00775-012-0917-9 | 2012 |
| MCF-7 | 1.4 | — | 10.1016/j.jinorgbio.2015.07.01... | 2015 |
| A549 | 1.7 | — | 10.1016/j.jinorgbio.2015.07.01... | 2015 |
| L-929 | 4.3 | — | 10.1016/j.jinorgbio.2015.07.01... | 2015 |
| MCF-7 | 8.5 | — | 10.1016/j.jinorgbio.2020.11109... | 2020 |
| HeLa | 9.1 | — | 10.1016/j.jinorgbio.2020.11109... | 2020 |
| HEK293 | 1.7e+02 | — | 10.1016/j.jinorgbio.2020.11109... | 2020 |
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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