Info
| ID | 734 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | 3A |
| SMILES | Oc1cccc(-c2cccc(O)n2)n1.c1cnc2c(c1)c1c(c3cccnc32)OCCO1.c1cnc2c(c1)c1c(c3cccnc32)OCCO1 |
TUCAN
C38H28N6O6Ru/(1-47)(2-48)(3-29)(4-32)(5-30)(6-31)(7-57)(8-49)(9-37)(10-50)(11-57)(12-38)(13-58)(14-58)(15-35)(16-36)(17-59)(18-33)(19-39)(20-59)(21-60)(22-60)(23-34)(24-40)(25-41)(26-42)(27-73)(28-74)(29-30)(29-47)(30-43)(31-38)(31-44)(32-33)(32-48)(33-45)(34-36)(34-65)(35-36)(35-52)(37-39)(37-49)(38-50)(39-46)(40-41)(40-66)(41-42)(42-56)(43-51)(43-61)(44-53)(44-62)(45-54)(45-63)(46-55)(46-64)(47-69)(48-70)(49-71)(50-72)(51-53)(51-69)(52-56)(52-67)(53-72)(54-55)(54-70)(55-71)(56-68)(57-58)(57-75)(58-76)(59-60)(59-77)(60-78)(61-62)(61-75)(62-76)(63-64)(63-77)(64-78)(65-67)(65-73)(66-68)(66-74)(67-79)(68-79)(69-79)(70-79)(71-79)(72-79)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MOLM-13 | 53 | 29 | 10.1021/acs.inorgchem.7b01065 | 2017 |
| MCF-10A | 58 | 29 | 10.1021/acs.inorgchem.7b01065 | 2017 |
| MDA-MB-231 | 1.9e+02 | 3.7 | 10.1021/acs.inorgchem.7b01065 | 2017 |
| MCF-7 | 4.9e+02 | 4.1 | 10.1021/acs.inorgchem.7b01065 | 2017 |
| HeLa | 7.3e+02 | 1.2e+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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