Info
| ID | 3316 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"N": 2} |
| Abbreviation | 3b |
| SMILES | CCCCn1c(-c2[c-]cc(C)cc2)nc2cc(C(=O)OC)ccc21.Cc1ccc(C(C)C)cc1.[Cl-] |
TUCAN
C30H35N2O2Ru/(1-40)(2-42)(3-36)(4-36)(5-39)(6-64)(7-64)(8-40)(9-64)(10-36)(11-37)(12-39)(13-37)(14-44)(15-43)(16-37)(17-59)(18-38)(19-38)(20-53)(21-53)(22-60)(23-52)(24-38)(25-40)(26-49)(27-60)(28-51)(29-47)(30-39)(31-48)(32-45)(33-50)(34-46)(35-52)(36-59)(37-59)(38-53)(39-56)(40-58)(41-49)(41-57)(42-43)(42-54)(43-56)(44-48)(44-54)(45-55)(45-62)(46-47)(46-55)(47-61)(48-56)(49-58)(50-51)(50-57)(51-58)(52-53)(52-60)(54-59)(55-65)(57-63)(60-66)(61-62)(61-66)(62-67)(63-66)(63-67)(64-69)(65-68)(65-69)(67-70)(69-70)
Measurements (8)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780cisR | 1.5 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| A2780 | 1.5 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| 5637 | 2.5 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| A427 | 3 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| HT-29 | 3.3 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| LCLC | 3.5 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| SISO | 3.7 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| EA.hy926 | 5.5 | — | 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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