Info
| ID | 4996 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"O": 1, "N": 1} |
| Abbreviation | 13 |
| SMILES | Cc1c(C)c(C)[c-](-c2ccccc2)c1C.O=C([O-])c1ccccn1.[Cl-] |
TUCAN
C21ClIrNO2/(1-14)(2-13)(3-15)(4-17)(5-6)(5-16)(6-10)(7-11)(7-16)(8-12)(8-20)(9-12)(9-19)(10-11)(13-14)(13-18)(14-17)(15-17)(15-18)(16-18)(19-22)(20-21)(20-22)(21-23)(21-24)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780 | — | — | 10.1021/jm2000932 | 2011 |
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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