carprofen
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
273.71 2 2 4.16 SF_C850 None Not checked

SMILES: CC(C(O)=O)c1ccc2c([nH]c3ccc(Cl)cc23)c1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[carprofen] 2.69 7.0 25.0 UV-vis spectroscopy Chen, Fu-An 2003

celecoxib
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
381.37 4 1 5.30 SF_C1695 None Not checked

SMILES: Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)[S](N)(=O)=O)C(F)(F)F

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[celecoxib] 2.77 7.0 37.0 UV-vis spectroscopy V. R. Sinha 2005
[b-Cyclodextrin](1).[celecoxib] 2.95 6.8 25.0 UV-vis spectroscopy Swati Rawat 2004

celecoxib
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
381.37 4 1 5.30 SF_C586 None Not checked

SMILES: Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)[S](N)(=O)=O)C(F)(F)F

Supramolecules

Namelog KSDpHT(°C)MethodRef
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[celecoxib] 2.95 7.0 30.0 UV-vis spectroscopy M. S. Nagarsenker 2005
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[celecoxib] 2.28 7.0 25.0 HPLC, NMR spectroscopy Cinzia AnnaVentura 2006

celecoxib
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
381.37 4 1 5.30 SF_C954 None Not checked

SMILES: Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)[S](N)(=O)=O)C(F)(F)F

Supramolecules

Namelog KSDpHT(°C)MethodRef

celecoxib
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
381.37 4 1 5.30 JN_E_1 None Not checked

SMILES: Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)[S](N)(=O)=O)C(F)(F)F

Supramolecules

Namelog KSDpHT(°C)MethodRef
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[celecoxib] 3.95 7.0 25.0 NMR spectroscopy Cinzia AnnaVentura 2005
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[celecoxib] 2.54 7.0 37.0 NMR spectroscopy Cinzia AnnaVentura 2005
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[celecoxib] 2.04 7.0 45.0 NMR spectroscopy Cinzia AnnaVentura 2005
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[celecoxib] 3.95 7.0 25.0 HPLC, NMR spectroscopy Cinzia AnnaVentura 2006
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](2).[celecoxib] 2.15 7.0 25.0 NMR spectroscopy Cinzia AnnaVentura 2005
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](2).[celecoxib] 2.56 7.0 37.0 NMR spectroscopy Cinzia AnnaVentura 2005
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](2).[celecoxib] 2.84 7.0 45.0 NMR spectroscopy Cinzia AnnaVentura 2005
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](2).[celecoxib] 2.15 7.0 25.0 HPLC, NMR spectroscopy Cinzia AnnaVentura 2006

celecoxib
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
381.37 4 1 5.30 JN_D_1 None Not checked

SMILES: Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)[S](N)(=O)=O)C(F)(F)F

Supramolecules

Namelog KSDpHT(°C)MethodRef

celiprolol
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
379.49 7 3 3.35 SF_C775 None Not checked

SMILES: CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(c1)C(C)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[heptakis(2,3-dimethyl-6-sulfate)-beta-CD](1).[celiprolol] 1.86 4.0 20.0 Capillary electrophoresis Jong Seong Kang 2004

cetyltrimethylammonium bromide
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
364.45 0 0 3.18 VR_C68 None Not checked

SMILES: [Br-].CCCCCCCCCCCCCCCC[N+](C)(C)C

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[cetyltrimethylammonium bromide] 4.30 25.0 Conductivity Vincent C. Reinsborough 1989
[b-Cyclodextrin](1).[cetyltrimethylammonium bromide] 4.83 isothermal titration calorimetry E. Wyn-Jones 1995
[b-Cyclodextrin](1).[cetyltrimethylammonium bromide] 4.82 surface tension method E. Wyn-Jones 1995
[b-Cyclodextrin](1).[cetyltrimethylammonium bromide] 4.85 potentiometry E. Wyn-Jones 1995
[b-Cyclodextrin](1).[cetyltrimethylammonium bromide] 4.78 E. Wyn-Jones 1995

cetyltrimethylammonium bromide
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
364.45 0 0 3.18 JN_177 None Not checked

SMILES: [Br-].CCCCCCCCCCCCCCCC[N+](C)(C)C

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[cetyltrimethylammonium bromide] 5.00 isothermal titration calorimetry E. Wyn-Jones 1995
[a-Cyclodextrin](2).[cetyltrimethylammonium bromide] 4.31 isothermal titration calorimetry E. Wyn-Jones 1995
[b-Cyclodextrin](2).[cetyltrimethylammonium bromide] 3.98 isothermal titration calorimetry E. Wyn-Jones 1995
[b-Cyclodextrin](2).[cetyltrimethylammonium bromide] 2.60 surface tension method E. Wyn-Jones 1995
[b-Cyclodextrin](2).[cetyltrimethylammonium bromide] 2.10 potentiometry E. Wyn-Jones 1995
[b-Cyclodextrin](2).[cetyltrimethylammonium bromide] 2.59 E. Wyn-Jones 1995

cetyltrimethylammonium chloride
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
320.00 0 0 3.18 JN_AE_1 None Not checked

SMILES: [Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)C

Supramolecules

Namelog KSDpHT(°C)MethodRef
[Heptakis(2,6-di-O-nButyl)-b-Cyclodextrin](1).[cetyltrimethylammonium chloride] 8.90 12.0 20.0 fluorescence spectroscopy Ru-Qin Yu 2005

chenodeoxycholic acid
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
392.57 4 3 4.48 NT_a0021 None Not checked

SMILES: C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[chenodeoxycholic acid] 3.96 8.3 25.0 Absorption spectroscopy Ueno, Akihiko 1997

chenodeoxycholic acid
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
392.57 4 3 4.48 SF_C1168 None Not checked

SMILES: C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[chenodeoxycholic acid] 2.77 7.4 25.0 HPLC-method G. Puglisi 1997
[BCD polymer](1).[chenodeoxycholic acid] 2.83 7.4 25.0 HPLC-method G. Puglisi 1997
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin isomeric purity >80 %](1).[chenodeoxycholic acid] 2.75 7.4 25.0 HPLC-method G. Puglisi 1997

chenodeoxycholic acid
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
392.57 4 3 4.48 SF_C394 None Not checked

SMILES: C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

Supramolecules

Namelog KSDpHT(°C)MethodRef
[NC0-b-CD](1).[chenodeoxycholic acid] 4.72 7.0 25.0 Fluorescence spectroscopy Hiroshi Ikeda 2005
[NC4-b-CD](1).[chenodeoxycholic acid] 4.63 7.0 25.0 Fluorescence spectroscopy Hiroshi Ikeda 2005
[NC0-g-CD](1).[chenodeoxycholic acid] 5.18 7.0 25.0 Fluorescence spectroscopy Hiroshi Ikeda 2005