OpenMolDB

cyclooctanone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
126.20	1	0	2.30				JN_277	None		Not checked

SMILES: O=C1CCCCCCC1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[cyclooctanone]	1.32	-0.12	11.6	25.0	inhibition kinetics method, stopped-flow spectroscopy	Oswald S.Tee 1996
[b-Cyclodextrin](1).[cyclooctanone]	3.32	2.03	11.6	25.0	inhibition kinetics method, stopped-flow spectroscopy	Oswald S.Tee 1996
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[cyclooctanone]	3.03	2.17	11.6	25.0	inhibition kinetics method, stopped-flow spectroscopy	Oswald S.Tee 1996

cyclopentanecarboxylic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
114.14	2	1	1.26				SF_C818	None		Not checked

SMILES: OC(=O)C1CCCC1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[bis-[m-(N-(6-cyclodextryl)-2-aminoethylaminosulfonyl)phenyl]-m-(chlorosulfonyl)phenylphosphine oxide](1).[cyclopentanecarboxylic acid ]	2.62	1.20	7.2	25.0	Microcalorimetric titrations	Yu Liu 2003
[mono[6-O-(diethylamino-ethoxyphosphoryl)]-b-cyclodextrin](1).[cyclopentanecarboxylic acid ]	2.61	-0.52	7.2	25.0	Microcalorimetric titrations	Yu Liu 2003
[mono[6-O-(diphenoxyphosphoryl)]-b-cyclodextrin](1).[cyclopentanecarboxylic acid ]	2.92	1.64	7.2	25.0	Microcalorimetric titrations	Yu Liu 2003
[Bis(b-cyclodextrin)-Copper(II) Complex](1).[cyclopentanecarboxylic acid ]	1.90		7.2	25.0	Microcalorimetric titrations	Yu Liu 2003

cyclopentanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
86.13	1	1	0.92				NT_b0155	None		Not checked

SMILES: OC1CCCC1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[L-Trp-b-CD](1).[cyclopentanol]	1.78		7.2	25.0	spectropolarimetric titration	Yu Liu 1999

cyclopentanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
86.13	1	1	0.92				SF_C1122	None		Not checked

SMILES: OC1CCCC1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[cyclopentanol]	2.24		7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001
[b-Cyclodextrin](1).[cyclopentanol]	2.24	0.70	6.9	25.0	Titration Calorimetry	Yoshihisa Inoue 2002
[b-Cyclodextrin](1).[cyclopentanol]	2.23	0.48	7.2	25.0	titration microcalorimetry	Yu Liu 2004
[b-Cyclodextrin](1).[cyclopentanol]	3.21	2.11	7.0	27.0	NMR spectroscopy	Carlos Jaime 2005
[b-Cyclodextrin](1).[cyclopentanol]	2.23				Isothermal microcalorimetric titration	Carlos Jaime 2005
[b-Cyclodextrin](1).[cyclopentanol]	2.08		7.2	25.0	UV-vis spectroscopy	Yu Liu 1998
[mono[6-O-(1-benzotriazole)]-b-cyclodextrin](1).[cyclopentanol]	1.82		7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001
[mono[6-benzylseleno-6-deoxy]-b-cyclodextrin](1).[cyclopentanol]	1.83		7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001

cyclopentanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
86.13	1	1	0.92				SF_C1521	None		Not checked

SMILES: OC1CCCC1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

cyclopentanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
86.13	1	1	0.92				SF_C833	None		Not checked

SMILES: OC1CCCC1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[6-O-phenyl-b-CD](1).[cyclopentanol]	2.59	1.46	7.2	25.0	titration microcalorimetry	Yu Liu 2004
[6-O-(4-formylphenyl)-b-CD](1).[cyclopentanol]	2.79	0.60	7.2	25.0	titration microcalorimetry	Yu Liu 2004
[6-O-(4-nitrophenyl)-b-CD](1).[cyclopentanol]	2.92	1.70	7.2	25.0	titration microcalorimetry	Yu Liu 2004
[6-O-(4-bromophenyl)-b-CD](1).[cyclopentanol]	2.56	1.23	7.2	25.0	titration microcalorimetry	Yu Liu 2004
[6-O-(4-chlorophenyl)]-b-CD](1).[cyclopentanol]	2.80	0.48	7.2	25.0	titration microcalorimetry	Yu Liu 2004

cyclopentanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
86.13	1	1	0.92				SF_C989	None		Not checked

SMILES: OC1CCCC1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

cyclopentanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
86.13	1	1	0.92				JN_334	None		Not checked

SMILES: OC1CCCC1

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[mono[6-(m-tolylseleno)-6-deoxy]-b-cyclodextrin](1).[cyclopentanol]	2.04	7.2	25.0	UV-vis spectroscopy	Yu Liu 1998
[mono[6-(o-tolylseleno)-6-deoxy]-b-cyclodextrin](1).[cyclopentanol]	2.09	7.2	25.0	UV-vis spectroscopy	Yu Liu 1998
[mono-[6-(phenylseleno)-6-deoxy]-BCD](1).[cyclopentanol]	2.04	7.2	25.0	UV-vis spectroscopy	Yu Liu 1998
[mono-[6-[(p-tolyl)seleno]-6-deoxy)-b-cyclodextrin](1).[cyclopentanol]	2.09	7.2	25.0	UV-vis spectroscopy	Yu Liu 1998

cyclopentanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
86.13	1	1	0.92				SF_C1016	None		Not checked

SMILES: OC1CCCC1

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[mono[6-(p-methoxyphenylseleno)-6- deoxy]-.beta.-cyclodextrin](1).[cyclopentanol ]	2.24	7.2	25.0	Circular dichroism spectroscopy	Yu Liu 1999
[mono[6-(p-metholxylphenylseleno)-6-deoxy]-b-cyclodextrin](1).[cyclopentanol ]	1.78	7.2	25.0	Circular dichroism spectroscopy	Yu Liu 1999
[mono[6-(ptolylseleno)-6-deoxy]-b-cyclodextrin](1).[cyclopentanol ]	2.05	7.2	25.0	Circular dichroism spectroscopy	Yu Liu 1999

cyclopentanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
86.13	1	1	0.92				SF_C816	None		Not checked

SMILES: OC1CCCC1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[bis-[m-(N-(6-cyclodextryl)-2-aminoethylaminosulfonyl)phenyl]-m-(chlorosulfonyl)phenylphosphine oxide](1).[cyclopentanol ]	2.23	0.48	7.2	25.0	Microcalorimetric titrations	Yu Liu 2003
[mono[6-O-(ethoxyhydroxyphosphoryl)]-b-cyclodextrin](1).[cyclopentanol ]	2.59	0.90	7.2	25.0	Microcalorimetric titrations	Yu Liu 2003
[mono[6-O-(diethylamino-ethoxyphosphoryl)]-b-cyclodextrin](1).[cyclopentanol ]	2.47	1.28	7.2	25.0	Microcalorimetric titrations	Yu Liu 2003
[mono[6-O-(diphenoxyphosphoryl)]-b-cyclodextrin](1).[cyclopentanol ]	1.87	0.30	7.2	25.0	Microcalorimetric titrations	Yu Liu 2003
[Bis(b-cyclodextrin)-Copper(II) Complex](1).[cyclopentanol ]	2.30	0.78	7.2	25.0	Microcalorimetric titrations	Yu Liu 2003
[b-Cyclodextrin](1).[cyclopentanol ]	2.24	0.70			Microcalorimetric titrations	Yu Liu 2003

cyclopentanone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
84.12	1	0	1.13				JN_274	None		Not checked

SMILES: O=C1CCCC1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[cyclopentanone]	1.12	-0.75	11.6	25.0	inhibition kinetics method, stopped-flow spectroscopy	Oswald S.Tee 1996
[b-Cyclodextrin](1).[cyclopentanone]	1.71	0.19	11.6	25.0	inhibition kinetics method, stopped-flow spectroscopy	Oswald S.Tee 1996
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[cyclopentanone]	1.49	0.51	11.6	25.0	inhibition kinetics method, stopped-flow spectroscopy	Oswald S.Tee 1996

cyclopenthiazide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
379.88	7	3	4.93				NT_c0206	None		Not checked

SMILES: N[S](=O)(=O)c1cc2c(NC(CC3CCCC3)N[S]2(=O)=O)cc1Cl

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[cyclopenthiazide]	2.22				phase solubility	Ahmed M. El-Sayed 1990
[b-Cyclodextrin](1).[cyclopenthiazide]	2.25				UV spectrophotometry	Ahmed M. El-Sayed 1990

cyclopentyl alcohol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
86.13	1	1	0.92				JN_229	None		Not checked

SMILES: OC1CCCC1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[cyclopentyl alcohol]	2.08			25.0	spectrophotometry	Oswald S.Tee 1996
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[cyclopentyl alcohol]	1.97	0.90	11.6	25.0	inhibition kinetics method	Oswald S.Tee 1996

cyclopentylamine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
85.15	1	1	1.59				JN_244	None		Not checked

SMILES: NC1CCCC1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[cyclopentylamine]	1.87	1.06	11.6	25.0	displacement of a fluorescent probe	Oswald S.Tee 1996
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[cyclopentylamine]	1.79	0.54	11.6	25.0	displacement of a fluorescent probe	Oswald S.Tee 1996

cyclopropane derivative

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1347	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[BCD dimer derivative 2](1).[cyclopropane derivative]	8.00		7.0	25.0	Circular dichroism spectroscopy	Ronald Breslow 1989