Info
| ID | 6453 |
| Metal | Os |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 3} |
| Abbreviation | 1 |
| SMILES | Cc1ccc(C(C)C)cc1.NC(=S)N/N=C/c1cccc(O)c1O.[Cl-] |
TUCAN
C18H23N3O2OsS/(1-28)(2-24)(3-33)(4-25)(5-24)(6-24)(7-38)(8-31)(9-32)(10-27)(11-25)(12-25)(13-26)(14-26)(15-29)(16-37)(17-26)(18-30)(19-43)(20-42)(21-42)(22-45)(23-46)(24-35)(25-37)(26-37)(27-32)(27-39)(28-29)(28-35)(29-36)(30-33)(30-36)(31-32)(31-34)(33-35)(34-38)(34-40)(36-37)(38-44)(39-40)(39-46)(40-45)(41-42)(41-43)(41-47)(43-44)(44-48)(45-48)(46-48)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780 | 1.6 | — | 10.1021/acs.organomet.7b00875 | 2018 |
| A549 | 2.4 | — | 10.1021/acs.organomet.7b00875 | 2018 |
| A2780cisR | 6.6 | — | 10.1021/acs.organomet.7b00875 | 2018 |
| PC-3 | 21 | — | 10.1021/acs.organomet.7b00875 | 2018 |
| HCT-116 | 24 | — | 10.1021/acs.organomet.7b00875 | 2018 |
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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