Info
| ID | 651 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 8} |
| Abbreviation | 3 |
| SMILES | Clc1cc(Cl)c(Cl)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1 |
TUCAN
C67H41Cl3N8Ru/(1-91)(2-43)(3-93)(4-45)(5-56)(6-94)(7-50)(8-51)(9-48)(10-47)(11-42)(12-58)(13-59)(14-44)(15-65)(16-95)(17-66)(18-52)(19-74)(20-46)(21-61)(22-71)(23-63)(24-64)(25-69)(26-68)(27-53)(28-54)(29-92)(30-72)(31-60)(32-49)(33-55)(34-62)(35-57)(36-70)(37-67)(38-75)(39-96)(40-73)(41-110)(42-44)(42-76)(43-50)(43-77)(44-79)(45-78)(45-91)(46-90)(46-107)(47-50)(47-51)(48-84)(48-93)(49-53)(49-54)(51-56)(52-87)(52-94)(53-58)(54-59)(55-60)(55-62)(56-77)(57-67)(57-75)(58-82)(59-82)(60-63)(61-106)(61-107)(62-64)(63-86)(64-86)(65-66)(65-80)(66-89)(67-68)(68-88)(69-81)(69-95)(70-75)(70-88)(71-72)(71-85)(72-92)(73-74)(73-96)(74-83)(76-78)(76-97)(77-78)(79-81)(79-98)(80-84)(80-99)(81-82)(83-102)(83-103)(84-86)(85-100)(85-101)(87-88)(87-89)(89-104)(90-105)(90-108)(91-111)(92-109)(93-113)(94-114)(95-115)(96-116)(97-98)(97-111)(98-115)(99-104)(99-113)(100-103)(100-110)(101-102)(101-109)(102-116)(103-112)(104-114)(105-110)(105-112)(106-108)(106-118)(107-117)(108-119)(111-120)(112-120)(113-120)(114-120)(115-120)(116-120)
Measurements (7)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| B16 | 1.2 | — | 10.1016/j.jinorgbio.2023.11232... | 2023 |
| HOS | 3.7 | — | 10.1016/j.jinorgbio.2023.11232... | 2023 |
| HCT-116 | 11 | — | 10.1016/j.jinorgbio.2023.11232... | 2023 |
| HeLa | 16 | — | 10.1016/j.jinorgbio.2023.11232... | 2023 |
| A549 | 30 | — | 10.1016/j.jinorgbio.2023.11232... | 2023 |
| HepG2 | 72 | — | 10.1016/j.jinorgbio.2023.11232... | 2023 |
| HEEC | — | — | 10.1016/j.jinorgbio.2023.11232... | 2023 |
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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