Info
| ID | 1359 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"O": 1, "N": 5} |
| Abbreviation | [Ru(dip)2(bpyC3-NitroIm)]2+ |
| SMILES | O=[N+]([O-])c1nccn1CCCc1ccnc(-c2ccccn2)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1 |
TUCAN
C64H47N9O2Ru/(1-48)(2-51)(3-54)(4-96)(5-97)(6-60)(7-50)(8-49)(9-55)(10-53)(11-63)(12-57)(13-100)(14-70)(15-68)(16-69)(17-104)(18-58)(19-104)(20-79)(21-102)(22-59)(23-98)(24-61)(25-65)(26-66)(27-71)(28-62)(29-52)(30-67)(31-74)(32-77)(33-78)(34-82)(35-101)(36-103)(37-82)(38-80)(39-72)(40-73)(41-75)(42-99)(43-76)(44-56)(45-64)(46-81)(47-81)(48-50)(48-51)(49-50)(49-54)(51-84)(52-53)(52-57)(53-55)(54-84)(55-91)(56-62)(56-72)(57-66)(58-87)(58-102)(59-85)(59-96)(60-63)(60-83)(61-88)(61-97)(62-74)(63-86)(64-73)(64-76)(65-89)(65-98)(66-91)(67-94)(67-99)(68-69)(68-70)(69-109)(70-100)(71-75)(71-90)(72-77)(73-78)(74-92)(75-93)(76-80)(77-92)(78-95)(79-87)(79-110)(80-95)(81-82)(81-104)(82-87)(83-85)(83-105)(84-85)(86-88)(86-106)(88-91)(89-90)(89-92)(90-107)(93-94)(93-108)(94-95)(96-115)(97-116)(98-117)(99-118)(100-112)(101-103)(101-120)(102-119)(103-113)(104-113)(105-106)(105-115)(106-116)(107-108)(107-117)(108-118)(109-110)(109-112)(110-119)(111-113)(111-114)(111-120)(114-121)(114-122)(115-123)(116-123)(117-123)(118-123)(119-123)(120-123)
Measurements (9)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| PANC-1 | 1.2 | — | 10.1016/j.ejps.2017.01.020 | 2017 |
| HaCaT | 1.9 | — | 10.1016/j.ejps.2017.01.020 | 2017 |
| PANC-1 | 3 | — | 10.1016/j.ejps.2017.01.020 | 2017 |
| MDA-MB-231 | 3.8 | — | 10.1021/acs.jmedchem.2c00580 | 2022 |
| HaCaT | 5 | — | 10.1016/j.ejps.2017.01.020 | 2017 |
| A2058 | 11 | — | 10.1021/acs.jmedchem.2c00580 | 2022 |
| A375 | 11 | — | 10.1021/acs.jmedchem.2c00580 | 2022 |
| MCF-7 | 13 | — | 10.1021/acs.jmedchem.2c00580 | 2022 |
| HaCaT | 19 | — | 10.1021/acs.jmedchem.2c00580 | 2022 |
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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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