OpenMolDB

Chlorpromazine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
318.86	3	0	4.96				nt0203	None		Not checked

SMILES: CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Chlorpromazine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
318.86	3	0	4.96				nt1085	None		Not checked

SMILES: CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Chlorpromazine]	4.04			25.0		Kenneth A. Connors 1995

Chlorpromazine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
318.86	3	0	4.96				nt1086	None		Not checked

SMILES: CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Chlorpromazine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
318.86	3	0	4.96				nt1087	None		Not checked

SMILES: CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Chlorpromazine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
318.86	3	0	4.96				nt1088	None		Not checked

SMILES: CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Chlorpromazine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
318.86	3	0	4.96				nt1089	None		Not checked

SMILES: CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Chlorpromazine sulfoxide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
334.86	3	0	4.84				nt1090	None		Not checked

SMILES: CN(C)CCCN1c2ccccc2[S](=O)c3ccc(Cl)cc13

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Chlorpromazine sulfoxide]	2.70			25.0		Kenneth A. Connors 1995

Chlorpromazine sulfoxide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
334.86	3	0	4.84				nt1091	None		Not checked

SMILES: CN(C)CCCN1c2ccccc2[S](=O)c3ccc(Cl)cc13

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Cholate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
407.56	8	3	2.11				nt1092	None		Not checked

SMILES: O[C@@H]1CC[C@]2(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC([O-])=O)CC[C@@]4([H])[C@]3([H])[C@H](O)C[C@@]([H])2C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Cholate anion]	3.04			25.0		Kenneth A. Connors 1995

Cholate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
407.56	8	3	2.11				nt1093	None		Not checked

SMILES: O[C@@H]1CC[C@]2(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC([O-])=O)CC[C@@]4([H])[C@]3([H])[C@H](O)C[C@@]([H])2C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Cholate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
407.56	8	3	2.11				nt1094	None		Not checked

SMILES: O[C@@H]1CC[C@]2(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC([O-])=O)CC[C@@]4([H])[C@]3([H])[C@H](O)C[C@@]([H])2C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Cholesterol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
386.65	1	1	7.39				NT_c0270	None		Not checked

SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

Supramolecules

Name	log K	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Cholesterol]	3.28	25.0	Potential of mean force	Wensheng Cai 2006
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[Cholesterol]	5.74	25.0	Potential of mean force	Wensheng Cai 2006
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[Cholesterol]	4.26	25.0	Potential of mean force	Wensheng Cai 2006

Cholic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
408.57	5	4	3.45				NT_c0268	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]3C[C@H](O)[C@]12C

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-CD-peptide](1).[Cholic acid]	2.95	2.66	7.5	25.0	Fluorescence resonance energy transfer	Hisakazu Mihara 2003

Cinnarizine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
368.51	2	0	4.98				nt0208	None		Not checked

SMILES: C1CN(CCN1C\C=C\c2ccccc2)C(c3ccccc3)c4ccccc4

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Cinnarizine]	1.45			25.0		Kenneth A. Connors 1995

Cinnarizine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
368.51	2	0	4.98				nt1097	None		Not checked

SMILES: C1CN(CCN1C\C=C\c2ccccc2)C(c3ccccc3)c4ccccc4

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Cinnarizine]	3.79			25.0		Kenneth A. Connors 1995