Info
| ID | 3117 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | C3 [Ru(dpphen)₂(dmbpy)]Cl₂ |
| SMILES | Cc1cccc(-c2cccc(C)n2)n1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1 |
TUCAN
C60H44N6Ru/(1-63)(2-47)(3-48)(4-93)(5-49)(6-56)(7-57)(8-50)(9-51)(10-52)(11-53)(12-59)(13-61)(14-94)(15-62)(16-95)(17-68)(18-58)(19-72)(20-66)(21-75)(22-65)(23-76)(24-96)(25-55)(26-45)(27-45)(28-45)(29-46)(30-46)(31-69)(32-77)(33-79)(34-80)(35-67)(36-70)(37-73)(38-54)(39-74)(40-71)(41-46)(42-64)(43-78)(44-60)(45-99)(46-104)(47-50)(47-84)(48-49)(48-81)(49-83)(50-62)(51-52)(51-98)(52-55)(53-54)(53-87)(54-89)(55-99)(56-59)(56-84)(57-61)(57-85)(58-65)(58-85)(59-62)(60-64)(60-104)(61-66)(63-82)(63-93)(64-78)(65-66)(67-69)(67-70)(68-86)(68-94)(69-76)(70-77)(71-73)(71-74)(72-88)(72-95)(73-79)(74-80)(75-90)(75-96)(76-91)(77-91)(78-103)(79-92)(80-92)(81-82)(81-97)(82-84)(83-86)(83-100)(85-86)(87-88)(87-101)(88-91)(89-90)(89-102)(90-92)(93-105)(94-106)(95-107)(96-109)(97-100)(97-105)(98-103)(98-108)(99-108)(100-106)(101-102)(101-107)(102-109)(103-110)(104-110)(105-111)(106-111)(107-111)(108-111)(109-111)(110-111)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 4.7 | 0.74 | 10.1007/s00775-020-01835-7 | 2020 |
| A549 | 6 | 1.2 | 10.1007/s00775-020-01835-7 | 2020 |
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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