Info
| ID | 936 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"S": 2, "N": 2, "P": 2} |
| Abbreviation | 4 |
| SMILES | O=C(O)c1ccc([S-])nc1.O=C(O)c1ccc([S-])nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 |
TUCAN
C40H36N2O4P2RuS2/(1-37)(2-69)(3-40)(4-61)(5-38)(6-39)(7-43)(8-46)(9-61)(10-65)(11-41)(12-62)(13-47)(14-69)(15-42)(16-45)(17-48)(18-44)(19-62)(20-57)(21-51)(22-52)(23-54)(24-70)(25-56)(26-70)(27-50)(28-49)(29-53)(30-55)(31-58)(32-66)(33-59)(34-60)(35-81)(36-82)(37-38)(37-71)(38-40)(39-40)(39-41)(41-71)(42-43)(42-46)(43-45)(44-47)(44-50)(45-72)(46-48)(47-51)(48-72)(49-53)(49-55)(50-52)(51-73)(52-73)(53-54)(54-74)(55-56)(56-74)(57-58)(57-75)(58-63)(59-60)(59-76)(60-64)(61-62)(61-69)(62-70)(63-65)(63-67)(64-66)(64-68)(65-77)(66-78)(67-79)(67-81)(68-80)(68-82)(69-83)(70-84)(71-83)(72-83)(73-84)(74-84)(75-77)(75-85)(76-78)(76-86)(77-87)(78-87)(81-87)(82-87)(83-87)(84-87)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 23 | — | 10.21577/0103-5053.20190214 | 2020 |
| MCF-7 | 24 | — | 10.21577/0103-5053.20190214 | 2020 |
| A549 | 25 | — | 10.21577/0103-5053.20190214 | 2020 |
| DU-145 | 36 | — | 10.21577/0103-5053.20190214 | 2020 |
| HepG2 | 44 | — | 10.21577/0103-5053.20190214 | 2020 |
| MRC-5 | 47 | — | 10.21577/0103-5053.20190214 | 2020 |
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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