Info
| ID | 4336 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 3} |
| Abbreviation | 8 |
| SMILES | Cc1ccc(C(C)C)cc1.NCCNCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2.[Cl-] |
TUCAN
C31ClN3O2Ru/(1-20)(2-17)(3-20)(4-25)(4-26)(5-6)(5-17)(6-22)(7-9)(7-13)(8-10)(8-18)(9-19)(10-15)(11-13)(11-21)(12-16)(12-17)(14-15)(14-24)(16-22)(18-24)(18-30)(19-21)(19-31)(20-22)(21-23)(23-29)(23-30)(24-29)(25-34)(26-33)(27-28)(27-33)(28-32)(29-34)(30-36)(31-34)(31-35)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HT-29 | 16 | — | 10.1021/acs.organomet.6b00440 | 2016 |
| HEK293 | 18 | — | 10.1021/acs.organomet.6b00440 | 2016 |
| MDA-MB-231 | 19 | — | 10.1021/acs.organomet.6b00440 | 2016 |
| MCF-7 | — | — | 10.1021/acs.organomet.6b00440 | 2016 |
| DU-145 | — | — | 10.1021/acs.organomet.6b00440 | 2016 |
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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