Info
| ID | 6842 |
| Metal | Rh |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"S": 1, "O": 1, "N": 2} |
| Abbreviation | 2a |
| SMILES | CS(C)=O.[Cl-].[Cl-].[Cl-].c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C14H14N2ORhS/(1-17)(2-23)(3-16)(4-15)(5-27)(6-27)(7-18)(8-24)(9-20)(10-19)(11-27)(12-28)(13-28)(14-28)(15-16)(15-23)(16-21)(17-20)(17-21)(18-19)(18-22)(19-24)(20-22)(21-25)(22-26)(23-29)(24-30)(25-26)(25-29)(26-30)(27-32)(28-32)(29-33)(30-33)(31-32)(32-33)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HT-29 | 0.19 | — | 10.1021/jm800173s | 2008 |
| MCF-7 | 0.4 | — | 10.1021/jm800173s | 2008 |
| HT-29 | 0.66 | — | 10.1002/cmdc.200800311 | 2009 |
| HT-29 | 0.66 | — | 10.1002/cmdc.201000517 | 2011 |
| MCF-7 | 1.1 | — | 10.1002/cmdc.200800311 | 2009 |
| MCF-7 | 1.1 | — | 10.1002/cmdc.201000517 | 2011 |
🧬 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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