Info
| ID | 1091 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 8} |
| Abbreviation | 3 |
| SMILES | Fc1c(F)c(F)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(F)c1F.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C43H23F5N8Ru/(1-47)(2-26)(3-24)(4-25)(5-38)(6-27)(7-30)(8-34)(9-52)(10-31)(11-32)(12-28)(13-36)(14-48)(15-51)(16-37)(17-49)(18-29)(19-33)(20-50)(21-39)(22-35)(23-68)(24-30)(24-40)(25-26)(25-40)(26-47)(27-29)(27-41)(28-33)(28-42)(29-48)(30-41)(31-32)(31-42)(32-46)(33-49)(34-38)(34-44)(35-36)(35-50)(36-46)(37-39)(37-51)(38-52)(39-43)(40-53)(41-54)(42-59)(43-55)(43-56)(44-57)(44-58)(45-61)(45-64)(45-66)(46-60)(47-69)(48-70)(49-72)(50-74)(51-73)(52-67)(53-54)(53-69)(54-70)(55-58)(55-71)(56-57)(56-73)(57-67)(58-68)(59-60)(59-72)(60-74)(61-68)(61-71)(62-64)(62-65)(62-76)(63-65)(63-66)(63-77)(64-75)(65-79)(66-78)(69-80)(70-80)(71-80)(72-80)(73-80)(74-80)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| BEL-7402 | 38 | — | 10.1016/j.jinorgbio.2017.04.02... | 2017 |
| HeLa | 71 | — | 10.1016/j.jinorgbio.2017.04.02... | 2017 |
| A549 | — | — | 10.1016/j.jinorgbio.2017.04.02... | 2017 |
| HepG2 | — | — | 10.1016/j.jinorgbio.2017.04.02... | 2017 |
| MG-63 | — | — | 10.1016/j.jinorgbio.2017.04.02... | 2017 |
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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