Info
| ID | 6447 |
| Metal | Os |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 5, "P": 1} |
| Abbreviation | 2c |
| SMILES | C1N2CN3CN1CP(C2)C3.S=C(Nc1ccc(Cl)cc1)c1ccccn1.c1ccc(-c2ccccc2)cc1 |
TUCAN
C30H31ClN5OsPS/(1-33)(2-35)(3-32)(4-36)(5-57)(6-57)(7-58)(8-58)(9-41)(10-40)(11-43)(12-45)(13-34)(14-37)(15-51)(16-47)(17-48)(18-39)(19-44)(20-54)(21-59)(22-54)(23-55)(24-55)(25-56)(26-59)(27-38)(28-46)(29-42)(30-56)(31-62)(32-33)(32-35)(33-34)(34-36)(35-49)(36-49)(37-40)(37-41)(38-39)(38-61)(39-52)(40-44)(41-50)(42-46)(42-61)(43-44)(43-50)(45-47)(45-48)(46-52)(47-53)(48-51)(49-50)(51-66)(52-62)(53-60)(53-66)(54-63)(54-64)(55-63)(55-65)(56-64)(56-65)(57-63)(57-67)(58-64)(58-67)(59-65)(59-67)(60-62)(60-68)(61-69)(66-70)(67-70)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| SW480 | 1e+02 | — | 10.1016/j.jinorgbio.2022.11211... | 2023 |
| HCT-116 | 1.1e+02 | — | 10.1016/j.jinorgbio.2022.11211... | 2023 |
| SiHa | 1.1e+02 | — | 10.1016/j.jinorgbio.2022.11211... | 2023 |
| NCI-H460 | 1.2e+02 | — | 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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