Info
| ID | 1833 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"N": 3, "S": 1, "O": 2, "P": 2} |
| Abbreviation | 2 |
| SMILES | N/C([S-])=N/N=C/c1ccccc1[O-].[C-]#[O+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1 |
TUCAN
C45H37N3O2P2RuS/(1-38)(2-39)(3-40)(4-42)(5-41)(6-45)(7-47)(8-44)(9-43)(10-52)(11-48)(12-50)(13-53)(14-51)(15-49)(16-58)(17-59)(18-54)(19-56)(20-55)(21-66)(22-70)(23-46)(24-73)(25-69)(26-57)(27-60)(28-62)(29-64)(30-63)(31-65)(32-61)(33-71)(34-68)(35-67)(36-83)(37-83)(38-39)(38-76)(39-43)(40-41)(40-43)(41-76)(42-45)(42-48)(44-47)(44-48)(45-77)(46-70)(46-72)(47-77)(49-52)(49-53)(50-52)(50-78)(51-53)(51-78)(54-56)(54-58)(55-56)(55-59)(57-60)(57-61)(58-79)(59-79)(60-80)(61-64)(62-64)(62-80)(63-65)(63-81)(65-71)(66-69)(66-75)(67-68)(67-81)(68-71)(69-70)(72-73)(72-75)(73-84)(74-86)(75-87)(76-88)(77-88)(78-88)(79-89)(80-89)(81-89)(82-83)(82-85)(82-90)(84-85)(84-91)(85-91)(88-91)(89-91)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HepG2 | 20 | — | 10.1021/om300914n | 2012 |
| A549 | 23 | — | 10.1021/om300914n | 2012 |
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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