Info
| ID | 2527 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ru1 |
| SMILES | Cc1ccnc(-c2cc(C(=O)O)ccn2)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1 |
TUCAN
C60H42N6O2Ru/(1-44)(2-48)(3-55)(4-49)(5-53)(6-54)(7-58)(8-61)(9-57)(10-60)(11-68)(12-90)(13-50)(14-59)(15-91)(16-64)(17-70)(18-65)(19-45)(20-52)(21-71)(22-66)(23-73)(24-95)(25-47)(26-72)(27-56)(28-67)(29-92)(30-46)(31-74)(32-94)(33-51)(34-69)(35-63)(36-75)(37-43)(38-93)(39-62)(40-43)(41-43)(42-110)(43-77)(44-49)(44-61)(45-76)(45-90)(46-81)(46-91)(47-77)(47-95)(48-53)(48-61)(49-79)(50-52)(50-78)(51-83)(51-92)(52-84)(53-79)(54-55)(54-80)(55-68)(56-75)(56-86)(57-58)(57-80)(58-68)(59-60)(59-82)(60-70)(62-89)(62-93)(63-85)(63-94)(64-65)(64-70)(65-82)(66-67)(66-71)(67-87)(69-71)(69-74)(72-89)(72-97)(73-77)(73-98)(74-87)(75-88)(76-78)(76-79)(78-96)(80-81)(81-84)(82-83)(83-86)(84-99)(85-87)(85-88)(86-100)(88-101)(89-102)(90-103)(91-104)(92-105)(93-106)(94-107)(95-108)(96-99)(96-103)(97-98)(97-106)(98-108)(99-104)(100-101)(100-105)(101-107)(102-109)(102-110)(103-111)(104-111)(105-111)(106-111)(107-111)(108-111)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MRC-5 | 28 | 1.5 | 10.1021/acsabm.1c00151 | 2021 |
| MRC-5 | 28 | 3.7 | 10.1021/acsabm.1c00151 | 2021 |
| A2780 | 37 | 2.2 | 10.1021/acsabm.1c00151 | 2021 |
| A2780 | 37 | 2.9 | 10.1021/acsabm.1c00151 | 2021 |
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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