Info
| ID | 2465 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"N": 2} |
| Abbreviation | 3 |
| SMILES | CCCCn1c(-c2[c-]cccc2)nc2cc(C(=O)OC)ccc21.Cc1ccc(C(C)C)cc1.[Cl-] |
TUCAN
C29H33N2O2Ru/(1-48)(2-39)(3-34)(4-34)(5-37)(6-61)(7-61)(8-61)(9-42)(10-34)(11-35)(12-37)(13-35)(14-40)(15-44)(16-35)(17-56)(18-36)(19-36)(20-51)(21-36)(22-50)(23-50)(24-49)(25-57)(26-57)(27-47)(28-37)(29-45)(30-41)(31-46)(32-43)(33-51)(34-56)(35-56)(36-51)(37-53)(38-49)(38-54)(39-44)(39-52)(40-45)(40-52)(41-55)(41-58)(42-43)(42-55)(43-59)(44-53)(45-53)(46-47)(46-54)(47-48)(48-49)(50-51)(50-57)(52-56)(54-60)(55-62)(57-63)(58-59)(58-64)(59-63)(60-63)(60-64)(61-66)(62-65)(62-66)(64-67)(66-67)
Measurements (15)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780 | 1.8 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| HT-29 | 2.2 | — | 10.1039/c3cc46239k | 2013 |
| HT-29 | 2.2 | — | 10.1039/c5mt00056d | 2015 |
| A2780cisR | 2.4 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| A427 | 2.6 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| HT-29 | 2.9 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| 5637 | 2.9 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| LCLC | 3.5 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| SISO | 3.9 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| T47D | 5.5 | — | 10.1039/c3cc46239k | 2013 |
| T47D | 5.5 | — | 10.1039/c5mt00056d | 2015 |
| A2780cisR | 6.4 | — | 10.1039/c5mt00056d | 2015 |
| A2780cisR | 6.4 | — | 10.1039/c3cc46239k | 2013 |
| A2780 | 6.6 | — | 10.1039/c3cc46239k | 2013 |
| EA.hy926 | 7 | — | 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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