Info
| ID | 552 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 8} |
| Abbreviation | Ru0 |
| SMILES | C(=C/c1nc2c3cccnc3c3ncccc3c2[nH]1)\c1ccccc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1 |
TUCAN
C41H30N8Ru/(1-34)(2-57)(3-42)(4-58)(5-31)(6-40)(7-32)(8-44)(9-33)(10-48)(11-45)(12-62)(13-52)(14-36)(15-39)(16-59)(17-35)(18-41)(19-47)(20-50)(21-43)(22-38)(23-46)(24-53)(25-60)(26-49)(27-51)(28-61)(29-37)(30-73)(31-34)(31-57)(32-34)(32-63)(33-42)(33-64)(35-36)(35-47)(36-48)(37-38)(37-56)(38-71)(39-46)(39-59)(40-44)(40-58)(41-50)(41-60)(42-43)(43-61)(44-49)(45-52)(45-55)(46-54)(47-53)(48-56)(49-65)(50-51)(51-69)(52-62)(53-56)(54-68)(54-70)(55-66)(55-67)(57-74)(58-75)(59-76)(60-77)(61-78)(62-72)(63-64)(63-74)(64-78)(65-69)(65-75)(66-68)(66-72)(67-70)(67-73)(68-76)(69-77)(70-79)(71-73)(71-79)(74-80)(75-80)(76-80)(77-80)(78-80)(79-80)
Measurements (7)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HCT-116 | 11 | — | 10.1016/j.jinorgbio.2018.04.01... | 2018 |
| HeLa | 21 | — | 10.1016/j.jinorgbio.2018.04.01... | 2018 |
| A375 | 22 | — | 10.1016/j.jinorgbio.2018.04.01... | 2018 |
| A375 | 29 | 5.4 | 10.1021/acs.inorgchem.3c00585 | 2023 |
| A375 | 29 | 4.7 | 10.1021/acs.inorgchem.3c00585 | 2023 |
| MDA-MB-231 | 37 | — | 10.1016/j.jinorgbio.2018.04.01... | 2018 |
| CCD-841-CON | 2.1e+02 | — | 10.1016/j.jinorgbio.2018.04.01... | 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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