Info
| ID | 1360 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"O": 1, "N": 5} |
| Abbreviation | [Ru(dip)2(bpyC6-NitroIm)]2+ |
| SMILES | O=[N+]([O-])c1nccn1CCCCCCc1ccnc(-c2ccccn2)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1 |
TUCAN
C67H53N9O2Ru/(1-54)(2-57)(3-60)(4-105)(5-106)(6-66)(7-55)(8-108)(9-62)(10-77)(11-59)(12-68)(13-79)(14-80)(15-63)(16-84)(17-73)(18-110)(19-91)(20-87)(21-88)(22-90)(23-87)(24-88)(25-86)(26-91)(27-111)(28-107)(29-89)(30-85)(31-90)(32-56)(33-61)(34-67)(35-70)(36-109)(37-78)(38-58)(39-69)(40-74)(41-113)(42-89)(43-71)(44-72)(45-75)(46-76)(47-82)(48-81)(49-65)(50-83)(51-113)(52-112)(53-64)(54-56)(54-57)(55-56)(55-60)(57-92)(58-59)(58-61)(59-62)(60-92)(61-68)(62-95)(63-93)(63-105)(64-104)(64-117)(65-71)(65-72)(66-77)(66-94)(67-96)(67-106)(68-95)(69-71)(69-98)(70-99)(70-108)(72-74)(73-85)(73-118)(74-98)(75-76)(75-83)(76-102)(77-97)(78-100)(78-109)(79-80)(79-101)(80-103)(81-82)(81-102)(82-83)(84-85)(84-107)(86-104)(86-110)(87-88)(87-91)(88-90)(89-90)(89-113)(91-104)(92-93)(93-94)(94-114)(95-96)(96-97)(97-115)(98-99)(99-101)(100-102)(100-103)(101-116)(103-119)(105-124)(106-126)(107-121)(108-127)(109-128)(110-125)(111-112)(111-129)(112-122)(113-122)(114-115)(114-124)(115-126)(116-119)(116-127)(117-118)(117-125)(118-121)(119-128)(120-122)(120-123)(120-129)(123-130)(123-131)(124-132)(125-132)(126-132)(127-132)(128-132)(129-132)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| PANC-1 | 2.4 | — | 10.1016/j.ejps.2017.01.020 | 2017 |
| PANC-1 | 3.3 | — | 10.1016/j.ejps.2017.01.020 | 2017 |
| HaCaT | 5 | — | 10.1016/j.ejps.2017.01.020 | 2017 |
| HaCaT | 6.1 | — | 10.1016/j.ejps.2017.01.020 | 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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