Info
| ID | 1820 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | 12a |
| SMILES | Brc1cnc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.Cc1ccc(C(C)C)cc1.[Cl-] |
TUCAN
C23H22BrN5Ru/(1-26)(2-23)(3-25)(4-23)(5-23)(6-24)(7-27)(8-28)(9-38)(10-24)(11-25)(12-32)(13-29)(14-24)(15-39)(16-34)(17-30)(18-25)(19-31)(20-33)(21-47)(22-48)(23-38)(24-38)(25-37)(26-27)(26-37)(27-35)(28-29)(28-35)(29-37)(30-33)(30-34)(31-33)(31-40)(32-36)(32-45)(34-41)(35-38)(36-42)(36-44)(39-45)(39-49)(40-41)(40-47)(41-46)(42-43)(42-50)(43-46)(43-47)(44-48)(44-49)(45-51)(48-50)(49-52)(50-52)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| CH-1 | 21 | — | 10.1021/ic201704u | 2011 |
| SW480 | 70 | — | 10.1021/ic201704u | 2011 |
| A549 | 2.7e+02 | — | 10.1021/ic201704u | 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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