Info
| ID | 2934 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 5, "S": 1} |
| Abbreviation | Ru3 |
| SMILES | COc1cc(/C=N\N=C(\N)[S-])c(Br)c(Br)c1OC.c1ccc(-c2ccccn2)nc1.c1ccc2cc3nc4c5cccnc5c5ncccc5c4nc3cc2c1 |
TUCAN
C42H30Br2N9O2RuS/(1-54)(2-53)(3-42)(4-56)(5-33)(6-32)(7-43)(8-31)(9-57)(10-37)(11-67)(12-67)(13-67)(14-35)(15-36)(16-38)(17-45)(18-41)(19-66)(20-66)(21-39)(22-46)(23-34)(24-44)(25-40)(26-47)(27-55)(28-66)(29-73)(30-73)(31-33)(31-54)(32-51)(32-58)(33-48)(34-35)(34-36)(35-53)(36-61)(37-52)(37-68)(38-47)(38-63)(39-47)(39-55)(40-43)(40-45)(41-45)(41-49)(42-46)(42-56)(43-51)(44-49)(44-62)(46-50)(48-59)(48-64)(49-51)(50-60)(50-65)(52-57)(52-72)(53-78)(54-75)(55-79)(56-76)(57-81)(58-62)(58-74)(59-65)(59-74)(60-64)(60-76)(61-63)(61-78)(62-77)(63-79)(64-75)(65-77)(66-83)(67-82)(68-69)(68-83)(69-71)(69-82)(70-73)(70-80)(70-84)(71-72)(71-86)(72-85)(76-87)(77-87)(78-87)(79-87)(80-81)(80-87)(81-87)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 4.3 | — | 10.1021/acs.jmedchem.3c01156 | 2023 |
| HeLa | 5.3 | — | 10.1021/acs.jmedchem.3c01156 | 2023 |
| MDA-MB-231 | 5.7 | — | 10.1021/acs.jmedchem.3c01156 | 2023 |
| HUVEC | 11 | — | 10.1021/acs.jmedchem.3c01156 | 2023 |
| LO2 | 19 | — | 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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