Info
| ID | 2222 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"S": 1, "N": 3, "P": 2} |
| Abbreviation | 2 |
| SMILES | [S-]c1ccccn1.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 |
TUCAN
C42H38N3P2RuS/(1-42)(2-41)(3-68)(4-45)(5-46)(6-49)(7-52)(8-39)(9-74)(10-56)(11-43)(12-44)(13-68)(14-47)(15-53)(16-54)(17-74)(18-55)(19-57)(20-51)(21-58)(22-60)(23-61)(24-62)(25-75)(26-59)(27-75)(28-40)(29-70)(30-71)(31-65)(32-50)(33-63)(34-66)(35-48)(36-69)(37-67)(38-64)(39-42)(39-45)(40-48)(40-49)(41-42)(41-76)(43-46)(43-52)(44-45)(44-76)(46-47)(47-77)(48-72)(49-70)(50-63)(50-69)(51-56)(51-58)(52-53)(53-77)(54-56)(54-78)(55-58)(55-78)(57-61)(57-79)(59-62)(59-79)(60-61)(60-62)(63-66)(64-67)(64-73)(65-67)(65-71)(66-80)(68-74)(68-75)(69-82)(70-81)(71-83)(72-73)(72-81)(73-83)(74-84)(75-85)(76-84)(77-84)(78-85)(79-85)(80-82)(80-86)(81-87)(82-87)(83-87)(84-87)(85-87)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| S180 | 1.1 | — | 10.1007/s11010-017-3129-3 | 2017 |
| K-562 | 1.6 | — | 10.1007/s11010-017-3129-3 | 2017 |
| L-929 | 1.7 | — | 10.1007/s11010-017-3129-3 | 2017 |
| PBMC | 2.6 | — | 10.1007/s11010-017-3129-3 | 2017 |
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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