Info
| ID | 7042 |
| Metal | Rh |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | 4c |
| SMILES | Cc1c(C)c(C)[c-](C)c1C.O=C(CCCCCCC(=O)Nc1ccc(NC(=S)c2ccccn2)cc1)NO.[Cl-] |
TUCAN
C30H39N4O3RhS/(1-56)(2-57)(3-53)(4-53)(5-57)(6-40)(7-40)(8-40)(9-41)(10-41)(11-46)(12-45)(13-54)(14-55)(15-55)(16-54)(17-50)(18-51)(19-47)(20-52)(21-52)(22-48)(23-56)(24-63)(25-49)(26-41)(27-42)(28-42)(29-42)(30-43)(31-43)(32-43)(33-44)(34-44)(35-44)(36-70)(37-71)(38-72)(39-76)(40-58)(41-59)(42-60)(43-61)(44-62)(45-46)(45-65)(46-66)(47-48)(47-64)(48-49)(49-63)(50-51)(50-66)(51-65)(52-56)(52-67)(53-54)(53-57)(54-55)(55-68)(56-57)(58-59)(58-60)(59-61)(60-62)(61-62)(63-73)(64-69)(64-73)(65-70)(66-71)(67-71)(67-75)(68-72)(68-74)(69-70)(69-77)(72-76)(73-78)(76-78)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HCT-116 | 0.97 | — | 10.1002/anie.202005758 | 2020 |
| PC-3 | 3.1 | — | 10.1002/anie.202005758 | 2020 |
| SiHa | 3.3 | — | 10.1002/anie.202005758 | 2020 |
| SW480 | 3.3 | — | 10.1002/anie.202005758 | 2020 |
| NCI-H460 | 3.5 | — | 10.1002/anie.202005758 | 2020 |
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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