Info
| ID | 6844 |
| Metal | Rh |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"S": 1, "O": 1, "N": 4} |
| Abbreviation | 4a |
| SMILES | CS(C)=O.[Cl-].[Cl-].[Cl-].c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 |
TUCAN
C20H16N4ORhS/(1-20)(2-21)(3-17)(4-23)(5-22)(6-18)(7-28)(8-19)(9-24)(10-27)(11-35)(12-35)(13-35)(14-36)(15-36)(16-36)(17-18)(17-30)(18-19)(19-21)(20-24)(20-25)(21-32)(22-23)(22-28)(23-26)(24-27)(25-29)(25-31)(26-33)(26-34)(27-40)(28-37)(29-33)(29-39)(30-32)(30-39)(31-34)(31-40)(32-38)(33-38)(34-37)(35-42)(36-42)(39-43)(40-43)(41-42)(42-43)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HT-29 | 0.057 | — | 10.1002/cmdc.200800311 | 2009 |
| HT-29 | 0.057 | — | 10.1002/cmdc.201000517 | 2011 |
| HT-29 | 0.073 | — | 10.1021/jm800173s | 2008 |
| MCF-7 | 0.093 | — | 10.1002/cmdc.200800311 | 2009 |
| MCF-7 | 0.093 | — | 10.1002/cmdc.201000517 | 2011 |
| MCF-7 | 0.095 | — | 10.1021/jm800173s | 2008 |
🧬 Cell Death Types (1)
Apoptosis
high
«Specific apoptotic cell death by DNA fragmentation was detected for leukemia (NALM-6) and lymphoma (BJAB) cells after incubation with 2, 3, and 11 (X=Br, L=H2O, pp=phen) for 72h. Loss of the mitochond...»
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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