Info
| ID | 4162 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 8} |
| Abbreviation | Ru2 |
| SMILES | Cc1ccc(O)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C44H30N8ORu/(1-44)(2-59)(3-42)(4-32)(5-45)(6-33)(7-60)(8-34)(9-35)(10-41)(11-37)(12-36)(13-40)(14-61)(15-43)(16-64)(17-46)(18-50)(19-47)(20-31)(21-31)(22-49)(23-62)(24-39)(25-38)(26-63)(27-48)(28-31)(29-76)(30-83)(31-53)(32-34)(32-59)(33-35)(33-60)(34-51)(35-52)(36-37)(36-53)(37-74)(38-43)(38-54)(39-44)(39-62)(40-41)(40-55)(41-61)(42-47)(42-51)(43-64)(44-57)(45-49)(45-52)(46-48)(46-63)(47-55)(48-56)(49-56)(50-53)(50-58)(51-65)(52-66)(54-68)(54-72)(55-67)(56-70)(57-69)(57-71)(58-73)(58-74)(59-77)(60-78)(61-80)(62-79)(63-81)(64-75)(65-67)(65-77)(66-70)(66-78)(67-80)(68-71)(68-76)(69-72)(69-79)(70-81)(71-82)(72-75)(73-76)(73-82)(74-83)(77-84)(78-84)(79-84)(80-84)(81-84)(82-84)(83-84)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 18 | — | 10.1016/j.jinorgbio.2018.11.01... | 2019 |
| HepG2 | 28 | — | 10.1016/j.jinorgbio.2018.11.01... | 2019 |
| A549 | 30 | — | 10.1016/j.jinorgbio.2018.11.01... | 2019 |
| CNE-1 | 31 | — | 10.1016/j.jinorgbio.2018.11.01... | 2019 |
| LO2 | 1e+02 | — | 10.1016/j.jinorgbio.2018.11.01... | 2019 |
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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