Info
| ID | 3320 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"N": 2, "O": 1} |
| Abbreviation | 3f |
| SMILES | CCCCn1c(-c2[c-]cc([N+](=O)[O-])cc2)nc2cc(C(=O)OC)ccc21.Cc1ccc(C(C)C)cc1.[Cl-] |
TUCAN
C29H32N3O4Ru/(1-48)(2-34)(3-33)(4-38)(5-45)(6-42)(7-34)(8-33)(9-40)(10-33)(11-60)(12-36)(13-39)(14-36)(15-36)(16-44)(17-54)(18-41)(19-34)(20-35)(21-35)(22-48)(23-49)(24-49)(25-55)(26-43)(27-60)(28-46)(29-55)(30-60)(31-47)(32-35)(33-54)(34-51)(35-49)(36-54)(37-46)(37-53)(38-39)(38-50)(39-51)(40-44)(40-50)(41-42)(41-52)(42-56)(43-52)(43-57)(44-51)(45-47)(45-58)(46-58)(47-53)(48-49)(48-55)(50-54)(52-61)(53-59)(55-62)(56-57)(56-62)(57-64)(58-63)(59-62)(59-64)(60-68)(61-65)(61-68)(63-66)(63-67)(64-69)(68-69)
Measurements (8)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780 | 1.3 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| A427 | 1.5 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| SISO | 2.3 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| LCLC | 2.3 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| HT-29 | 2.4 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| A2780cisR | 2.5 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| 5637 | 2.7 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| EA.hy926 | 7.2 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
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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