Info
| ID | 649 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 8} |
| Abbreviation | 1 |
| SMILES | Clc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1 |
TUCAN
C67H43ClN8Ru/(1-44)(2-55)(3-49)(4-60)(5-46)(6-95)(7-50)(8-53)(9-51)(10-56)(11-45)(12-75)(13-47)(14-48)(15-72)(16-64)(17-98)(18-96)(19-66)(20-68)(21-69)(22-54)(23-58)(24-97)(25-57)(26-76)(27-99)(28-62)(29-70)(30-73)(31-52)(32-65)(33-100)(34-77)(35-61)(36-74)(37-79)(38-78)(39-63)(40-59)(41-71)(42-67)(43-112)(44-46)(44-49)(45-49)(45-50)(46-80)(47-51)(47-53)(48-51)(48-56)(50-80)(52-54)(52-58)(53-88)(54-62)(55-60)(55-81)(56-88)(57-82)(57-95)(58-73)(59-61)(59-63)(60-83)(61-77)(62-91)(63-79)(64-66)(64-93)(65-69)(65-93)(66-110)(67-71)(67-98)(68-72)(68-86)(69-110)(70-84)(70-97)(71-85)(72-96)(73-91)(74-89)(74-99)(75-76)(75-87)(76-90)(77-94)(78-92)(78-100)(79-94)(80-82)(81-82)(81-101)(83-84)(83-102)(84-88)(85-106)(85-108)(86-105)(86-107)(87-89)(87-103)(89-91)(90-92)(90-104)(92-94)(93-109)(95-113)(96-117)(97-114)(98-111)(99-115)(100-116)(101-102)(101-113)(102-114)(103-104)(103-115)(104-116)(105-106)(105-118)(106-112)(107-108)(107-117)(108-111)(109-112)(109-118)(110-119)(113-120)(114-120)(115-120)(116-120)(117-120)(118-120)
Measurements (7)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HOS | 5.7 | — | 10.1016/j.jinorgbio.2023.11232... | 2023 |
| HCT-116 | 6.8 | — | 10.1016/j.jinorgbio.2023.11232... | 2023 |
| A549 | 7.2 | — | 10.1016/j.jinorgbio.2023.11232... | 2023 |
| B16 | 7.2 | — | 10.1016/j.jinorgbio.2023.11232... | 2023 |
| HeLa | 22 | — | 10.1016/j.jinorgbio.2023.11232... | 2023 |
| HepG2 | 40 | — | 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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