Info
| ID | 6273 |
| Metal | Re |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 4, "P": 1, "O": 1} |
| Abbreviation | 7 |
| SMILES | C1N2CN3CN1CP(C2)C3.C1N2CN3CN1CP(C2)C3.C1N2CN3CN1CP(C2)C3.NC(C(=O)[O-])(c1ccccc1)c1ccccc1.[I-].[N-]=C(c1ccccc1)c1ccccc1 |
TUCAN
C45H58N11O2P3Re/(1-71)(2-60)(3-69)(4-61)(5-70)(6-59)(7-62)(8-85)(9-85)(10-86)(11-86)(12-87)(13-87)(14-88)(15-88)(16-74)(17-64)(18-72)(19-73)(20-63)(21-65)(22-75)(23-77)(24-78)(25-67)(26-95)(27-95)(28-96)(29-96)(30-97)(31-97)(32-98)(33-98)(34-76)(35-66)(36-68)(37-99)(38-99)(39-89)(40-89)(41-100)(42-90)(43-90)(44-100)(45-101)(46-101)(47-102)(48-91)(49-102)(50-103)(51-91)(52-103)(53-92)(54-92)(55-93)(56-93)(57-105)(58-105)(59-60)(59-61)(60-79)(61-64)(62-64)(62-79)(63-65)(63-81)(65-67)(66-67)(66-68)(68-81)(69-70)(69-71)(70-80)(71-72)(72-74)(73-75)(73-76)(74-80)(75-77)(76-78)(77-82)(78-82)(79-83)(80-84)(81-83)(82-84)(83-104)(84-94)(84-105)(85-106)(85-107)(86-106)(86-108)(87-107)(87-108)(88-109)(88-111)(89-109)(89-110)(90-110)(90-111)(91-112)(91-113)(92-112)(92-114)(93-113)(93-114)(94-115)(94-116)(95-106)(95-117)(96-107)(96-117)(97-108)(97-117)(98-109)(98-118)(99-110)(99-118)(100-111)(100-118)(101-112)(101-119)(102-113)(102-119)(103-114)(103-119)(117-120)(118-120)(119-120)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HT-29 | 34 | — | 10.1021/acs.inorgchem.9b03239 | 2020 |
| HCT-116 | 43 | — | 10.1021/acs.inorgchem.9b03239 | 2020 |
| HeLa | 1.4e+02 | — | 10.1021/acs.inorgchem.9b03239 | 2020 |
| HEK293 | 1.9e+03 | — | 10.1021/acs.inorgchem.9b03239 | 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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