Info
| ID | 522 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"O": 1} |
| Abbreviation | 3i |
| SMILES | Cc1ccc(C(C)C)cc1.O=c1c([O-])c(-c2ccc(Br)cc2)oc2ccccc12.[Cl-] |
TUCAN
C25BrClO3Ru/(1-16)(2-18)(3-16)(4-6)(4-17)(5-7)(5-22)(6-25)(7-11)(8-12)(8-25)(9-10)(9-18)(10-19)(11-15)(12-17)(13-14)(13-19)(14-18)(15-20)(16-19)(17-21)(20-22)(20-24)(21-23)(21-28)(22-28)(23-24)(23-26)(24-27)(25-30)
Measurements (10)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| CH-1 | 1.2 | — | 10.1021/jm301376a | 2012 |
| NCI-H460 | 2.9 | — | 10.1021/acs.inorgchem.8b01187 | 2018 |
| SW480 | 3.4 | — | 10.1021/jm301376a | 2012 |
| HCT-116 | 3.4 | — | 10.1021/acs.inorgchem.8b01187 | 2018 |
| DAN-G | 5.7 | — | 10.1021/jm301376a | 2012 |
| SW480 | 8.5 | — | 10.1021/acs.inorgchem.8b01187 | 2018 |
| A549 | 8.6 | — | 10.1021/jm301376a | 2012 |
| 5637 | 12 | — | 10.1021/jm301376a | 2012 |
| LCLC-103H | 19 | — | 10.1021/jm301376a | 2012 |
| SiHa | 29 | — | 10.1021/acs.inorgchem.8b01187 | 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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