Info
| ID | 733 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | 2A |
| SMILES | Oc1cccc(-c2cccc(O)n2)n1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C34H24N6O2Ru/(1-47)(2-28)(3-25)(4-37)(5-26)(6-27)(7-29)(8-38)(9-35)(10-36)(11-34)(12-48)(13-30)(14-31)(15-39)(16-42)(17-49)(18-50)(19-32)(20-33)(21-41)(22-40)(23-65)(24-66)(25-26)(25-43)(26-44)(27-28)(27-47)(28-43)(29-30)(29-45)(30-46)(31-38)(31-48)(32-39)(32-49)(33-37)(33-50)(34-35)(34-36)(35-53)(36-57)(37-44)(38-45)(39-46)(40-41)(40-56)(41-42)(42-58)(43-51)(44-52)(45-54)(46-55)(47-59)(48-60)(49-63)(50-64)(51-52)(51-59)(52-64)(53-56)(53-61)(54-55)(54-60)(55-63)(56-62)(57-61)(57-65)(58-62)(58-66)(59-67)(60-67)(61-67)(62-67)(63-67)(64-67)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MOLM-13 | 60 | 27 | 10.1021/acs.inorgchem.7b01065 | 2017 |
| MCF-10A | 1.1e+02 | 13 | 10.1021/acs.inorgchem.7b01065 | 2017 |
| MDA-MB-231 | 2.8e+02 | 83 | 10.1021/acs.inorgchem.7b01065 | 2017 |
| MCF-7 | 4.9e+02 | 1.8e+02 | 10.1021/acs.inorgchem.7b01065 | 2017 |
| HeLa | 1.4e+03 | 3.8e+02 | 10.1021/acs.inorgchem.7b01065 | 2017 |
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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