Info
| ID | 3641 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 2, "P": 1} |
| Abbreviation | 3a |
| SMILES | Cc1ccc(C(C)C)cc1.S=C(Nc1ccc(Cl)cc1)c1ccccn1.c1ccc(P(c2ccccc2)c2ccccc2)cc1 |
TUCAN
C40H38ClN2PRuS/(1-48)(2-42)(3-40)(4-46)(5-40)(6-40)(7-43)(8-49)(9-62)(10-50)(11-51)(12-52)(13-57)(14-55)(15-53)(16-58)(17-39)(18-44)(19-64)(20-60)(21-61)(22-59)(23-71)(24-65)(25-54)(26-63)(27-56)(28-66)(29-45)(30-39)(31-41)(32-41)(33-39)(34-70)(35-47)(36-67)(37-41)(38-79)(39-68)(40-70)(41-70)(42-43)(42-48)(43-74)(44-46)(44-68)(45-56)(45-72)(46-69)(47-67)(47-69)(48-51)(49-51)(49-74)(50-52)(50-75)(52-62)(53-57)(53-75)(54-56)(54-71)(55-64)(55-73)(57-62)(58-60)(58-63)(59-61)(59-63)(60-76)(61-76)(64-78)(65-66)(65-78)(66-73)(67-68)(69-70)(71-80)(72-77)(72-80)(73-79)(74-81)(75-81)(76-81)(77-79)(77-82)(78-83)(80-84)(81-84)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| SiHa | 0.26 | — | 10.1016/j.jinorgbio.2022.11211... | 2023 |
| HCT-116 | 0.32 | — | 10.1016/j.jinorgbio.2022.11211... | 2023 |
| NCI-H460 | 0.38 | — | 10.1016/j.jinorgbio.2022.11211... | 2023 |
| SW480 | 0.41 | — | 10.1016/j.jinorgbio.2022.11211... | 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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