Info
| ID | 2223 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"S": 1, "N": 3, "P": 2} |
| Abbreviation | 3 |
| SMILES | [S-]c1ccccn1.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 |
TUCAN
C43H40N3P2RuS/(1-42)(2-41)(3-70)(4-45)(5-49)(6-51)(7-54)(8-44)(9-77)(10-55)(11-48)(12-46)(13-70)(14-47)(15-53)(16-56)(17-77)(18-71)(19-57)(20-60)(21-61)(22-62)(23-58)(24-59)(25-66)(26-65)(27-78)(28-78)(29-71)(30-43)(31-73)(32-74)(33-67)(34-52)(35-63)(36-68)(37-50)(38-72)(39-69)(40-64)(41-42)(41-79)(42-44)(43-50)(43-51)(44-45)(45-46)(46-79)(47-49)(47-80)(48-49)(48-54)(50-75)(51-73)(52-63)(52-72)(53-54)(53-80)(55-56)(55-61)(56-81)(57-58)(57-81)(58-61)(59-60)(59-66)(60-82)(62-65)(62-82)(63-68)(64-69)(64-76)(65-66)(67-69)(67-74)(68-83)(70-71)(70-77)(71-78)(72-85)(73-84)(74-86)(75-76)(75-84)(76-86)(77-87)(78-88)(79-87)(80-87)(81-88)(82-88)(83-85)(83-89)(84-90)(85-90)(86-90)(87-90)(88-90)
Measurements (8)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| S180 | 0.27 | — | 10.1007/s11010-017-3129-3 | 2017 |
| MDA-MB-231 | 0.55 | — | 10.1039/c5mt00227c | 2016 |
| K-562 | 1.6 | — | 10.1007/s11010-017-3129-3 | 2017 |
| CHO | 2 | — | 10.1039/c5mt00227c | 2016 |
| HepG2 | 2.1 | — | 10.1039/c5mt00227c | 2016 |
| L-929 | 2.5 | — | 10.1007/s11010-017-3129-3 | 2017 |
| PBMC | 3 | — | 10.1007/s11010-017-3129-3 | 2017 |
| Caco-2 | 3.1 | — | 10.1007/s10534-018-0160-0 | 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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