Info
| ID | 6843 |
| Metal | Rh |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"S": 1, "O": 1, "N": 4} |
| Abbreviation | 3a |
| SMILES | CS(C)=O.[Cl-].[Cl-].[Cl-].c1cnc2c(c1)c1nccnc1c1cccnc12 |
TUCAN
C16H14N4ORhS/(1-21)(2-23)(3-15)(4-18)(5-29)(6-29)(7-22)(8-17)(9-24)(10-16)(11-29)(12-30)(13-30)(14-30)(15-16)(15-21)(16-20)(17-18)(17-19)(18-23)(19-26)(19-27)(20-25)(20-28)(21-33)(22-24)(22-32)(23-31)(24-34)(25-26)(25-33)(26-31)(27-28)(27-32)(28-34)(29-36)(30-36)(33-37)(34-37)(35-36)(36-37)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HT-29 | 0.069 | — | 10.1021/jm800173s | 2008 |
| MCF-7 | 0.079 | — | 10.1021/jm800173s | 2008 |
| HT-29 | 0.31 | — | 10.1002/cmdc.200800311 | 2009 |
| MCF-7 | 0.47 | — | 10.1002/cmdc.200800311 | 2009 |
🧬 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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