Info
| ID | 3056 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 2, "O": 1, "P": 2} |
| Abbreviation | 3 |
| SMILES | COc1ccnc(-c2cc(OC)ccn2)c1.O=C1C=C([O-])C(=O)c2ccccc21.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1 |
TUCAN
C58H47N2O5P2Ru/(1-51)(2-55)(3-52)(4-62)(5-48)(6-65)(7-49)(8-64)(9-56)(10-72)(11-93)(12-93)(13-76)(14-73)(15-84)(16-93)(17-75)(18-53)(19-66)(20-50)(21-54)(22-69)(23-78)(24-89)(25-74)(26-90)(27-70)(28-57)(29-58)(30-60)(31-59)(32-61)(33-86)(34-94)(35-94)(36-94)(37-81)(38-63)(39-67)(40-68)(41-79)(42-82)(43-71)(44-77)(45-83)(46-80)(47-85)(48-51)(48-54)(49-52)(49-54)(50-53)(50-57)(51-100)(52-100)(53-101)(55-62)(55-65)(56-72)(56-87)(57-58)(58-59)(59-101)(60-63)(60-71)(61-70)(61-81)(62-64)(63-102)(64-103)(65-66)(66-103)(67-68)(67-102)(68-71)(69-70)(69-104)(72-76)(73-76)(73-88)(74-91)(74-96)(75-89)(75-96)(77-82)(77-83)(78-81)(78-104)(79-82)(79-105)(80-83)(80-105)(84-97)(84-99)(85-92)(85-98)(86-90)(86-98)(87-88)(87-97)(88-95)(89-106)(90-107)(91-92)(91-106)(92-107)(93-111)(94-112)(95-99)(95-108)(96-111)(97-110)(98-112)(99-109)(100-113)(101-113)(102-113)(103-114)(104-114)(105-114)(106-115)(107-115)(111-115)(112-115)(114-115)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| DU-145 | 0.16 | — | 10.1016/j.jinorgbio.2017.08.01... | 2017 |
| A549 | 0.24 | — | 10.1016/j.jinorgbio.2017.08.01... | 2017 |
| MCF-7 | 0.26 | — | 10.1016/j.jinorgbio.2017.08.01... | 2017 |
| MRC-5 | 1.3 | — | 10.1016/j.jinorgbio.2017.08.01... | 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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