Info
| ID | 4494 |
| Metal | Ru |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"O": 1, "N": 1, "P": 2} |
| Abbreviation | Ru-2 |
| SMILES | [Cl-].[Cl-].[O-]c1ccc(Br)c2cccnc12.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1 |
TUCAN
C45H35BrNOP2Ru/(1-37)(2-36)(3-40)(4-43)(5-45)(6-49)(7-46)(8-48)(9-38)(10-39)(11-41)(12-51)(13-42)(14-44)(15-52)(16-47)(17-53)(18-59)(19-66)(20-68)(21-54)(22-63)(23-71)(24-61)(25-50)(26-56)(27-55)(28-62)(29-57)(30-58)(31-60)(32-67)(33-64)(34-69)(35-65)(36-37)(36-74)(37-45)(38-40)(38-74)(39-43)(39-75)(40-45)(41-46)(41-75)(42-48)(42-76)(43-49)(44-51)(44-76)(46-49)(47-52)(47-77)(48-50)(50-51)(52-56)(53-59)(53-77)(54-63)(54-80)(55-61)(55-78)(56-59)(57-62)(57-78)(58-61)(58-62)(60-64)(60-79)(63-73)(64-69)(65-67)(65-69)(66-68)(66-71)(67-79)(68-70)(70-72)(70-80)(71-81)(72-73)(72-81)(73-82)(74-83)(75-83)(76-83)(77-84)(78-84)(79-84)(80-85)(81-86)(83-86)(84-86)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HepG2 | 6.5 | — | 10.1016/j.jinorgbio.2024.11258... | 2024 |
| HL-7702 | — | — | 10.1016/j.jinorgbio.2024.11258... | 2024 |
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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