Info
| ID | 6885 |
| Metal | Rh |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 2, "S": 1, "O": 1} |
| Abbreviation | C4 |
| SMILES | COc1ccc2c(-c3ccccc3N)nccc2c1.CS(C)=O.[Cl-].[Cl-].[Cl-] |
TUCAN
C18H20N2O2RhS/(1-37)(2-22)(3-24)(4-32)(5-27)(6-35)(7-35)(8-23)(9-25)(10-37)(11-37)(12-28)(13-26)(14-21)(15-35)(16-38)(17-38)(18-38)(19-39)(20-39)(21-22)(21-34)(22-23)(23-26)(24-27)(24-36)(25-31)(25-36)(26-30)(27-29)(28-31)(28-32)(29-31)(29-33)(30-33)(30-34)(32-40)(33-40)(34-39)(35-42)(36-42)(37-43)(38-43)(40-44)(41-43)(42-44)(43-44)
Measurements (8)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HepG2 | 14 | — | 10.31635/ccschem.020.202000363 | 2020 |
| T24 | 16 | — | 10.31635/ccschem.020.202000363 | 2020 |
| MDA-MB-216 | 17 | — | 10.31635/ccschem.020.202000363 | 2020 |
| HeLa | 19 | — | 10.31635/ccschem.020.202000363 | 2020 |
| SK-OV-3 | 19 | — | 10.31635/ccschem.020.202000363 | 2020 |
| MGC-803 | 21 | — | 10.31635/ccschem.020.202000363 | 2020 |
| A549 | 25 | — | 10.31635/ccschem.020.202000363 | 2020 |
| WI-38 | 41 | — | 10.31635/ccschem.020.202000363 | 2020 |
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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