Info
| ID | 2077 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 8} |
| Abbreviation | Ru-complex |
| SMILES | c1cnc2c(c1)c1n[se]nc1c1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C36H22N8RuSe/(1-23)(2-45)(3-31)(4-34)(5-46)(6-35)(7-27)(8-48)(9-38)(10-28)(11-24)(12-25)(13-26)(14-32)(15-36)(16-29)(17-30)(18-47)(19-49)(20-33)(21-37)(22-50)(23-27)(23-45)(24-25)(24-39)(25-40)(26-29)(26-41)(27-39)(28-34)(28-40)(29-42)(30-31)(30-41)(31-46)(32-36)(32-47)(33-35)(33-42)(34-48)(35-49)(36-44)(37-38)(37-43)(38-50)(39-51)(40-54)(41-55)(42-58)(43-56)(43-57)(44-52)(44-53)(45-61)(46-62)(47-59)(48-63)(49-65)(50-64)(51-54)(51-61)(52-56)(52-60)(53-57)(53-59)(54-63)(55-58)(55-62)(56-66)(57-64)(58-65)(60-67)(61-68)(62-68)(63-68)(64-68)(65-68)(66-67)(66-68)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HepG2 | 13 | — | 10.1016/j.inoche.2012.02.037 | 2012 |
| HeLa | 21 | — | 10.1016/j.inoche.2012.02.037 | 2012 |
| A549 | 34 | — | 10.1016/j.inoche.2012.02.037 | 2012 |
| MDA-MB-231 | 72 | — | 10.1016/j.inoche.2012.02.037 | 2012 |
| SW620 | — | — | 10.1016/j.inoche.2012.02.037 | 2012 |
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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