Info
| ID | 3317 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"N": 2} |
| Abbreviation | 3c |
| SMILES | CCCCn1c(-c2[c-]cc(F)cc2)nc2cc(C(=O)OC)ccc21.Cc1ccc(C(C)C)cc1.[Cl-] |
TUCAN
C29H32FN2O2Ru/(1-55)(2-34)(3-33)(4-54)(5-44)(6-33)(7-38)(8-41)(9-33)(10-39)(11-34)(12-36)(13-36)(14-43)(15-36)(16-40)(17-35)(18-35)(19-49)(20-49)(21-55)(22-48)(23-48)(24-46)(25-59)(26-42)(27-34)(28-47)(29-45)(30-59)(31-59)(32-35)(33-54)(34-51)(35-49)(36-54)(37-46)(37-53)(38-39)(38-51)(39-50)(40-43)(40-51)(41-42)(41-56)(42-52)(43-50)(44-52)(44-57)(45-47)(45-61)(46-61)(47-53)(48-49)(48-55)(50-54)(52-60)(53-58)(55-62)(56-57)(56-62)(57-63)(58-62)(58-63)(59-65)(60-64)(60-65)(61-66)(63-67)(65-67)
Measurements (8)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780 | 1.4 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| A427 | 1.9 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| 5637 | 1.9 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| SISO | 2 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| LCLC | 2.2 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| HT-29 | 2.7 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| A2780cisR | 3.3 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| EA.hy926 | — | — | 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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