Info
| ID | 2827 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"O": 1, "N": 3, "P": 2} |
| Abbreviation | 1 |
| SMILES | O=C([O-])c1ccccn1.c1ccc(-c2ccccn2)nc1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 |
TUCAN
C41H34N3O2P2Ru/(1-36)(2-40)(3-35)(4-39)(5-48)(6-41)(7-64)(8-51)(9-47)(10-75)(11-50)(12-49)(13-75)(14-43)(15-37)(16-52)(17-53)(18-54)(19-56)(20-58)(21-55)(22-60)(23-57)(24-62)(25-59)(26-44)(27-66)(28-42)(29-45)(30-61)(31-65)(32-38)(33-63)(34-46)(35-36)(35-41)(36-71)(37-43)(37-64)(38-42)(38-65)(39-40)(39-41)(40-71)(42-45)(43-44)(44-67)(45-69)(46-61)(46-68)(47-48)(47-51)(48-72)(49-50)(49-51)(50-72)(52-53)(52-73)(53-57)(54-56)(54-57)(55-58)(55-62)(56-73)(58-74)(59-60)(59-62)(60-74)(61-63)(63-66)(64-76)(65-78)(66-77)(67-68)(67-76)(68-77)(69-70)(69-78)(70-79)(70-80)(71-81)(72-81)(73-82)(74-82)(75-81)(75-82)(76-83)(77-83)(78-83)(81-83)(82-83)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 15 | — | 10.21577/0103-5053.20200020 | 2020 |
| S180 | 72 | — | 10.21577/0103-5053.20200020 | 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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