Info
| ID | 5015 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 2} |
| Abbreviation | 4a |
| SMILES | CCCCn1c(-c2[c-]cccc2)nc2cc(C(=O)OC)ccc21.Cc1c(C)c(C)[c-](C)c1C.[Cl-] |
TUCAN
C29H34IrN2O2/(1-47)(2-35)(3-35)(4-35)(5-36)(6-42)(7-43)(8-36)(9-36)(10-37)(11-37)(12-37)(13-38)(14-38)(15-38)(16-50)(17-39)(18-49)(19-50)(20-58)(21-49)(22-39)(23-48)(24-45)(25-58)(26-39)(27-62)(28-40)(29-40)(30-44)(31-62)(32-62)(33-40)(34-46)(35-51)(36-52)(37-53)(38-54)(39-50)(40-55)(41-45)(41-57)(42-43)(42-56)(43-59)(44-56)(44-60)(45-48)(46-47)(46-57)(47-48)(49-50)(49-58)(51-52)(51-53)(52-54)(53-55)(54-55)(56-63)(57-61)(58-64)(59-60)(59-64)(60-65)(61-64)(61-65)(62-67)(63-66)(63-67)(65-68)(67-68)
Measurements (12)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HT-29 | 0.98 | — | 10.1039/c3cc46239k | 2013 |
| HT-29 | 1.4 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| A2780cisR | 1.8 | — | 10.1039/c3cc46239k | 2013 |
| A2780 | 1.8 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| A2780 | 1.9 | — | 10.1039/c3cc46239k | 2013 |
| T47D | 2.3 | — | 10.1039/c3cc46239k | 2013 |
| A2780cisR | 2.6 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| EA.hy926 | 2.9 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| A427 | 3.8 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| SISO | 5.5 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| 5637 | 5.6 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
| LCLC-103H | 9.9 | — | 10.1021/acs.jmedchem.5b01194 | 2015 |
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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