Info
| ID | 5192 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 7} |
| Abbreviation | 3a |
| SMILES | Cc1ccnc(-c2cc(C(=O)NCCCCCC(=O)NCCc3c[nH]c4ccccc34)ccn2)c1.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12 |
TUCAN
C54H47IrN7O2/(1-74)(2-56)(3-53)(4-88)(5-52)(6-58)(7-51)(8-71)(9-89)(10-73)(11-93)(12-90)(13-55)(14-72)(15-63)(16-74)(17-70)(18-76)(19-94)(20-94)(21-48)(22-76)(23-92)(24-77)(25-75)(26-93)(27-91)(28-65)(29-66)(30-60)(31-69)(32-54)(33-59)(34-48)(35-77)(36-75)(37-73)(38-67)(39-61)(40-64)(41-68)(42-62)(43-57)(44-48)(45-104)(46-103)(47-102)(48-82)(49-51)(49-80)(50-71)(50-86)(51-52)(52-60)(53-55)(53-88)(54-56)(54-78)(55-79)(56-79)(57-59)(57-81)(58-72)(58-89)(59-87)(60-78)(61-62)(61-71)(62-81)(63-82)(63-92)(64-66)(64-83)(65-67)(65-96)(66-67)(68-82)(68-99)(69-85)(69-90)(70-85)(70-97)(72-87)(73-84)(73-93)(74-76)(74-77)(75-77)(75-100)(76-94)(78-80)(79-95)(80-95)(81-86)(83-84)(83-96)(84-91)(85-101)(86-98)(87-98)(88-105)(89-106)(90-107)(91-102)(92-108)(93-103)(94-104)(95-105)(96-102)(97-99)(97-107)(98-106)(99-108)(100-103)(100-110)(101-104)(101-109)(105-111)(106-111)(107-111)(108-111)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 2.4 | — | 10.1021/ic801818x | 2008 |
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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