Info
| ID | 4452 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 2, "P": 2} |
| Abbreviation | 1cRu |
| SMILES | CC(=O)OCC[N+]12CN3CN(CP(C3)C1)C2.[Cl-].c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1 |
TUCAN
C33H39N3O2P2Ru/(1-42)(2-43)(3-44)(4-51)(5-52)(6-55)(7-45)(8-57)(9-58)(10-59)(11-50)(12-70)(13-70)(14-62)(15-62)(16-71)(17-71)(18-63)(19-63)(20-64)(21-64)(22-72)(23-72)(24-41)(25-46)(26-47)(27-48)(28-49)(29-60)(30-53)(31-54)(32-56)(33-40)(34-61)(35-65)(36-65)(37-40)(38-40)(39-61)(40-66)(41-46)(41-47)(42-44)(42-51)(43-45)(43-51)(44-67)(45-67)(46-48)(47-49)(48-49)(50-55)(50-68)(52-55)(52-58)(53-58)(53-68)(54-59)(54-69)(56-60)(56-69)(57-59)(57-60)(61-65)(61-75)(62-73)(62-75)(63-73)(63-74)(64-74)(64-75)(65-77)(66-76)(66-77)(67-78)(68-78)(69-78)(70-75)(70-79)(71-73)(71-79)(72-74)(72-79)(77-80)(78-80)(79-80)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780 | 4.7 | — | 10.1021/ic402953s | 2014 |
| K-562 | 5.1 | — | 10.1021/ic402953s | 2014 |
| K-562 | 5.5 | — | 10.1021/ic402953s | 2014 |
| A2780 | 5.8 | — | 10.1021/ic402953s | 2014 |
| SK-OV-3 | 6 | — | 10.1021/ic402953s | 2014 |
| SK-OV-3 | 8.3 | — | 10.1021/ic402953s | 2014 |
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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