Info
| ID | 6498 |
| Metal | Os |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Os6 |
| SMILES | CCCCn1c(-c2[c-]ccc(-c3ccc(C(F)(F)F)cc3)c2)nc2cc(C(=O)OC)ccc21.c1cnc2c(c1)c1nccnc1c1cccnc12.c1cnc2c(c1)c1nccnc1c1cccnc12 |
TUCAN
C54H38F3N10O2Os/(1-59)(2-71)(3-59)(4-78)(5-78)(6-57)(7-90)(8-70)(9-50)(10-42)(11-44)(12-53)(13-90)(14-41)(15-72)(16-77)(17-43)(18-39)(19-39)(20-60)(21-60)(22-39)(23-73)(24-46)(25-74)(26-75)(27-45)(28-52)(29-56)(30-58)(31-49)(32-48)(33-51)(34-54)(35-76)(36-47)(37-90)(38-55)(39-60)(40-53)(40-63)(41-49)(41-61)(42-50)(42-62)(43-63)(43-68)(44-69)(44-82)(45-46)(45-64)(46-65)(47-48)(47-65)(48-64)(49-73)(50-70)(51-54)(51-74)(52-58)(52-69)(53-57)(54-66)(55-56)(55-67)(56-76)(57-68)(58-86)(59-60)(59-78)(61-79)(61-81)(62-80)(62-83)(63-89)(64-92)(65-68)(66-84)(66-87)(67-85)(67-88)(69-91)(70-95)(71-72)(71-93)(72-98)(73-99)(74-100)(75-77)(75-102)(76-96)(77-94)(78-97)(79-83)(79-99)(80-81)(80-93)(81-98)(82-86)(82-101)(83-95)(84-88)(84-102)(85-87)(85-96)(86-97)(87-100)(88-94)(89-97)(89-101)(90-104)(91-103)(91-104)(92-105)(92-106)(92-107)(98-108)(99-108)(100-108)(101-108)(102-108)(104-108)
Measurements (9)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| PNT1A | 0.57 | — | 10.1021/acs.inorgchem.3c00501 | 2023 |
| MRC5pd30 | 0.7 | — | 10.1021/acs.inorgchem.3c00501 | 2023 |
| HCT-116 | 0.71 | — | 10.1021/acs.inorgchem.3c00501 | 2023 |
| MCF-7 | 0.92 | — | 10.1021/acs.inorgchem.3c00501 | 2023 |
| MDA-MB-231 | 0.96 | — | 10.1021/acs.inorgchem.3c00501 | 2023 |
| HeLa | 1.1 | — | 10.1021/acs.inorgchem.3c00501 | 2023 |
| PSN1 | 1.4 | — | 10.1021/acs.inorgchem.3c00501 | 2023 |
| A375 | 1.5 | — | 10.1021/acs.inorgchem.3c00501 | 2023 |
| OE33 | 1.9 | — | 10.1021/acs.inorgchem.3c00501 | 2023 |
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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