Info
| ID | 3540 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"O": 1, "N": 2} |
| Abbreviation | Ru-dca |
| SMILES | Cc1ccc(C(C)C)cc1.O=C([O-])C(Cl)Cl.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1 |
TUCAN
C36H31Cl2N2O2Ru/(1-35)(2-45)(3-33)(4-42)(5-33)(6-61)(7-62)(8-37)(9-49)(10-47)(11-39)(12-38)(13-67)(14-36)(15-40)(16-48)(17-51)(18-44)(19-63)(20-46)(21-50)(22-32)(23-43)(24-33)(25-41)(26-34)(27-32)(28-32)(29-34)(30-34)(31-52)(32-54)(33-61)(34-61)(35-37)(35-39)(36-50)(36-53)(37-38)(38-57)(39-40)(40-57)(41-42)(41-54)(42-55)(43-52)(43-55)(44-47)(44-48)(45-56)(45-62)(46-47)(46-51)(48-59)(49-60)(49-63)(50-58)(51-59)(52-54)(53-56)(53-64)(55-61)(56-57)(58-60)(58-65)(59-60)(62-68)(63-69)(64-65)(64-68)(65-69)(66-67)(66-70)(66-71)(67-72)(67-73)(68-74)(69-74)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780cisR | 0.17 | — | 10.1039/c8dt02236d | 2018 |
| A2780 | 0.17 | — | 10.1039/c8dt02236d | 2018 |
| DU-145 | 0.47 | — | 10.1039/c8dt02236d | 2018 |
| MDA-MB-231 | 0.86 | — | 10.1039/c8dt02236d | 2018 |
| HEK293 | 9.4 | — | 10.1039/c8dt02236d | 2018 |
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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