Info
| ID | 1329 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"N": 3} |
| Abbreviation | 3c |
| SMILES | Cc1ccc(C(C)C)cc1.N#CC1=C(N)Oc2c(cc(Cl)c3ccccc23)C1c1cccnc1.[Cl-].[Cl-] |
TUCAN
C29H26ClN3ORu/(1-27)(2-32)(3-28)(4-31)(5-27)(6-48)(7-39)(8-38)(9-52)(10-36)(11-35)(12-51)(13-30)(14-34)(15-37)(16-28)(17-28)(18-27)(19-29)(20-29)(21-49)(22-29)(23-33)(24-40)(25-57)(26-57)(27-44)(28-49)(29-49)(30-43)(30-55)(31-32)(31-44)(32-45)(33-40)(33-45)(34-38)(34-52)(35-39)(35-42)(36-37)(36-39)(37-47)(38-46)(40-44)(41-48)(41-50)(41-54)(42-47)(42-53)(43-48)(43-53)(45-49)(46-48)(46-51)(47-55)(50-56)(51-58)(52-58)(53-59)(54-57)(54-59)(55-60)(58-61)(59-61)
Measurements (10)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| KB-V1/Vbl | 0.036 | — | 10.1016/j.jinorgbio.2018.03.01... | 2018 |
| MCF-7/Topo | 0.047 | — | 10.1016/j.jinorgbio.2018.03.01... | 2018 |
| U-87 MG | 0.073 | — | 10.1016/j.jinorgbio.2018.03.01... | 2018 |
| PANC-1 | 0.1 | — | 10.1016/j.jinorgbio.2018.03.01... | 2018 |
| 518A2 | 0.12 | — | 10.1016/j.jinorgbio.2018.03.01... | 2018 |
| DLD-1 | 0.14 | — | 10.1016/j.jinorgbio.2018.03.01... | 2018 |
| HT-29 | 0.16 | — | 10.1016/j.jinorgbio.2018.03.01... | 2018 |
| HCT-116 | 0.19 | — | 10.1016/j.jinorgbio.2018.03.01... | 2018 |
| 518A2 | — | — | 10.1016/j.jinorgbio.2018.03.01... | 2018 |
| HDFa | — | — | 10.1016/j.jinorgbio.2018.03.01... | 2018 |
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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