Info
| ID | 2933 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 7, "S": 1} |
| Abbreviation | Ru2 |
| SMILES | COc1cc(/C=N\N=C(\N)[S-])c(Br)c(Br)c1OC.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C34H26Br2N7O2RuS/(1-29)(2-45)(3-28)(4-46)(5-27)(6-31)(7-30)(8-47)(9-32)(10-55)(11-55)(12-55)(13-54)(14-49)(15-36)(16-33)(17-35)(18-38)(19-37)(20-39)(21-54)(22-54)(23-34)(24-48)(25-61)(26-61)(27-28)(27-40)(28-45)(29-32)(29-40)(30-31)(30-46)(31-41)(32-41)(33-35)(33-42)(34-38)(34-43)(35-47)(36-44)(36-56)(37-39)(37-42)(38-48)(39-43)(40-50)(41-51)(42-52)(43-53)(44-49)(44-59)(45-62)(46-63)(47-64)(48-65)(49-66)(50-51)(50-62)(51-63)(52-53)(52-64)(53-65)(54-68)(55-69)(56-57)(56-69)(57-60)(57-68)(58-61)(58-67)(58-70)(59-60)(59-71)(60-72)(62-73)(63-73)(64-73)(65-73)(66-67)(66-73)(67-73)(68-73)(69-73)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 9.7 | — | 10.1021/acs.jmedchem.3c01156 | 2023 |
| HUVEC | 15 | — | 10.1021/acs.jmedchem.3c01156 | 2023 |
| MDA-MB-231 | 15 | — | 10.1021/acs.jmedchem.3c01156 | 2023 |
| LO2 | 18 | — | 10.1021/acs.jmedchem.3c01156 | 2023 |
| HeLa | 18 | — | 10.1021/acs.jmedchem.3c01156 | 2023 |
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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