Info
| ID | 338 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"O": 1, "N": 4} |
| Abbreviation | Ru4 |
| SMILES | CC1=CC(=O)c2c([O-])cccc2C1=O.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1 |
TUCAN
C59H39N4O3Ru/(1-42)(2-48)(3-50)(4-88)(5-53)(6-41)(7-44)(8-40)(9-89)(10-90)(11-46)(12-45)(13-57)(14-49)(15-52)(16-58)(17-59)(18-47)(19-65)(20-91)(21-51)(22-55)(23-40)(24-69)(25-54)(26-56)(27-62)(28-60)(29-63)(30-66)(31-67)(32-61)(33-64)(34-70)(35-68)(36-72)(37-43)(38-40)(39-71)(40-73)(41-42)(41-47)(42-79)(43-73)(43-98)(44-47)(44-48)(45-74)(45-88)(46-49)(46-54)(48-79)(49-83)(50-53)(50-75)(51-80)(51-89)(52-58)(52-83)(53-76)(54-58)(55-81)(55-90)(56-59)(56-62)(57-61)(57-82)(59-65)(60-85)(60-91)(61-84)(62-66)(63-64)(63-67)(64-68)(65-86)(66-86)(67-87)(68-70)(69-72)(69-78)(70-87)(71-72)(71-96)(73-97)(74-75)(74-79)(75-92)(76-80)(76-93)(77-78)(77-96)(77-98)(78-97)(80-83)(81-82)(81-86)(82-94)(84-85)(84-95)(85-87)(88-99)(89-100)(90-101)(91-102)(92-93)(92-99)(93-100)(94-95)(94-101)(95-102)(96-105)(97-103)(98-104)(99-106)(100-106)(101-106)(102-106)
Measurements (7)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MGC-803 | 0.5 | — | 10.1016/j.ejmech.2022.114312 | 2022 |
| HeLa | 0.6 | — | 10.1016/j.ejmech.2022.114312 | 2022 |
| T24 | 0.8 | — | 10.1016/j.ejmech.2022.114312 | 2022 |
| SK-OV-3 | 1.1 | — | 10.1016/j.ejmech.2022.114312 | 2022 |
| HepG2 | 1.3 | — | 10.1016/j.ejmech.2022.114312 | 2022 |
| BEL-7402 | 2.6 | — | 10.1016/j.ejmech.2022.114312 | 2022 |
| HL-7702 | 3.7 | — | 10.1016/j.ejmech.2022.114312 | 2022 |
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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