Info
| ID | 1108 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"O": 1, "P": 2, "N": 2} |
| Abbreviation | (2) |
| SMILES | CC(C)=CCC1=C([O-])C(=O)c2ccccc2C1=O.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C63H51N2O3P2Ru/(1-58)(2-57)(3-61)(4-54)(5-78)(6-55)(7-64)(8-67)(9-71)(10-59)(11-85)(12-62)(13-72)(14-56)(15-102)(16-63)(17-68)(18-76)(19-75)(20-79)(21-82)(22-69)(23-95)(24-52)(25-52)(26-52)(27-53)(28-60)(29-81)(30-73)(31-77)(32-83)(33-89)(34-92)(35-74)(36-86)(37-80)(38-84)(39-94)(40-87)(41-53)(42-53)(43-88)(44-91)(45-93)(46-103)(47-90)(48-65)(49-70)(50-95)(51-66)(52-98)(53-98)(54-57)(54-61)(55-59)(55-96)(56-78)(56-102)(57-58)(58-109)(59-101)(60-95)(60-98)(61-62)(62-109)(63-67)(63-110)(64-67)(64-71)(65-66)(65-85)(66-70)(68-71)(68-110)(69-72)(69-111)(70-99)(72-75)(73-76)(73-111)(74-79)(74-112)(75-76)(77-88)(77-103)(78-96)(79-81)(80-82)(80-112)(81-82)(83-84)(83-86)(84-113)(85-100)(86-89)(87-89)(87-113)(88-101)(90-92)(90-94)(91-92)(91-114)(93-94)(93-114)(95-97)(96-104)(97-107)(97-108)(99-100)(99-106)(100-107)(101-105)(102-115)(103-116)(104-105)(104-115)(105-116)(106-108)(106-117)(107-118)(108-119)(109-120)(110-120)(111-120)(112-121)(113-121)(114-121)(115-122)(116-122)(120-122)(121-122)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 0.086 | — | 10.1016/j.poly.2017.04.005 | 2017 |
| A549 | 0.09 | — | 10.1016/j.poly.2017.04.005 | 2017 |
| A549 | 0.11 | — | 10.1016/j.poly.2017.04.005 | 2017 |
| MDA-MB-231 | 0.2 | — | 10.1016/j.poly.2017.04.005 | 2017 |
| V79 | 0.67 | — | 10.1016/j.poly.2017.04.005 | 2017 |
| V79 | 0.72 | — | 10.1016/j.poly.2017.04.005 | 2017 |
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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