Info
| ID | 1107 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"O": 2, "P": 2} |
| Abbreviation | (1) |
| SMILES | CC(C)=CCC1=C([O-])C(=O)c2ccccc2C1=O.CC(C)=CCC1=C([O-])C(=O)c2ccccc2C1=O.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1 |
TUCAN
C66H56O6P2Ru/(1-96)(2-67)(3-61)(4-74)(5-63)(6-75)(7-62)(8-68)(9-69)(10-76)(11-57)(12-57)(13-57)(14-101)(15-101)(16-82)(17-64)(18-65)(19-71)(20-66)(21-72)(22-58)(23-58)(24-58)(25-59)(26-85)(27-70)(28-78)(29-88)(30-83)(31-84)(32-73)(33-59)(34-59)(35-94)(36-97)(37-99)(38-60)(39-79)(40-80)(41-81)(42-86)(43-92)(44-95)(45-87)(46-89)(47-90)(48-100)(49-93)(50-91)(51-98)(52-102)(53-77)(54-60)(55-60)(56-102)(57-105)(58-105)(59-109)(60-109)(61-63)(61-74)(62-68)(62-74)(63-117)(64-69)(64-75)(65-71)(65-75)(66-72)(66-82)(67-96)(67-103)(68-117)(69-118)(70-73)(70-82)(71-118)(72-119)(73-119)(76-101)(76-105)(77-102)(77-109)(78-79)(78-85)(79-120)(80-83)(80-120)(81-84)(81-121)(83-85)(84-88)(86-87)(86-121)(87-88)(89-90)(89-92)(90-122)(91-92)(91-93)(93-122)(94-97)(94-107)(95-100)(95-108)(96-97)(98-99)(98-110)(99-100)(101-104)(102-106)(103-107)(103-111)(104-112)(104-115)(106-114)(106-116)(107-115)(108-110)(108-116)(110-113)(111-112)(111-123)(112-124)(113-114)(113-128)(114-125)(115-126)(116-127)(117-129)(118-129)(119-129)(120-130)(121-130)(122-130)(129-131)(130-131)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 53 | — | 10.1016/j.poly.2017.04.005 | 2017 |
| MDA-MB-231 | 54 | — | 10.1016/j.poly.2017.04.005 | 2017 |
| MDA-MB-231 | — | — | 10.1016/j.poly.2017.04.005 | 2017 |
| A549 | — | — | 10.1016/j.poly.2017.04.005 | 2017 |
| V79 | — | — | 10.1016/j.poly.2017.04.005 | 2017 |
| V79 | — | — | 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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