Info
| ID | 6884 |
| Metal | Rh |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 2, "S": 1, "O": 1} |
| Abbreviation | C2 |
| SMILES | COc1cc2ccnc(-c3ccccc3N)c2cc1OC.CS(C)=O.[Cl-].[Cl-].[Cl-] |
TUCAN
C19H22N2O3RhS/(1-37)(2-40)(3-23)(4-27)(5-24)(6-40)(7-37)(8-25)(9-36)(10-36)(11-33)(12-29)(13-40)(14-26)(15-28)(16-41)(17-37)(18-36)(19-41)(20-41)(21-42)(22-42)(23-28)(23-30)(24-31)(24-33)(25-31)(25-38)(26-27)(26-35)(27-28)(29-32)(29-39)(30-34)(30-35)(31-32)(32-34)(33-43)(34-43)(35-42)(36-45)(37-46)(38-39)(38-45)(39-46)(40-47)(41-47)(43-48)(44-47)(45-48)(46-48)(47-48)
Measurements (8)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-216 | 8 | — | 10.31635/ccschem.020.202000363 | 2020 |
| HepG2 | 9 | — | 10.31635/ccschem.020.202000363 | 2020 |
| HeLa | 9 | — | 10.31635/ccschem.020.202000363 | 2020 |
| T24 | 11 | — | 10.31635/ccschem.020.202000363 | 2020 |
| MGC-803 | 13 | — | 10.31635/ccschem.020.202000363 | 2020 |
| SK-OV-3 | 14 | — | 10.31635/ccschem.020.202000363 | 2020 |
| A549 | 17 | — | 10.31635/ccschem.020.202000363 | 2020 |
| WI-38 | 38 | — | 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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