Info
| ID | 3387 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 8} |
| Abbreviation | 2 |
| SMILES | COc1ccc(OC)c2nc3c4cccnc4c4ncccc4c3nc12.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1 |
TUCAN
C40H30N8O2Ru/(1-51)(2-52)(3-33)(4-46)(5-35)(6-31)(7-32)(8-54)(9-47)(10-34)(11-53)(12-67)(13-42)(14-67)(15-67)(16-68)(17-68)(18-43)(19-36)(20-39)(21-40)(22-45)(23-48)(24-68)(25-55)(26-37)(27-56)(28-38)(29-41)(30-44)(31-33)(31-35)(32-34)(32-39)(33-51)(34-52)(35-57)(36-38)(36-40)(37-42)(37-69)(38-53)(39-58)(40-63)(41-44)(41-45)(42-70)(43-48)(43-50)(44-55)(45-65)(46-47)(46-54)(47-49)(48-56)(49-60)(49-64)(50-61)(50-62)(51-73)(52-74)(53-75)(54-78)(55-76)(56-72)(57-58)(57-73)(58-74)(59-66)(59-70)(59-71)(60-61)(60-78)(61-72)(62-64)(62-71)(63-65)(63-75)(64-77)(65-76)(66-69)(66-77)(67-80)(68-79)(69-79)(70-80)(73-81)(74-81)(75-81)(76-81)(77-81)(78-81)(79-81)(80-81)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| BEL-7402 | 17 | — | 10.1016/j.jinorgbio.2014.09.00... | 2014 |
| HepG2 | — | — | 10.1016/j.jinorgbio.2014.09.00... | 2014 |
| HeLa | — | — | 10.1016/j.jinorgbio.2014.09.00... | 2014 |
| MG-63 | — | — | 10.1016/j.jinorgbio.2014.09.00... | 2014 |
| A549 | — | — | 10.1016/j.jinorgbio.2014.09.00... | 2014 |
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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