Structure

InChI Key YSXKPIUOCJLQIE-UHFFFAOYSA-N
Smile OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2
InChI
InChI=1S/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H29NO
Molecular Weight 311.47
AlogP 3.96
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 23.47
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 23.0

Pharmacology

Primary Target
M1 receptor

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cocaine-Related Disorders 3 D019970 ClinicalTrials
Schizophrenia 3 D012559 ClinicalTrials
Anxiety 3 D001007 ClinicalTrials
Dementia 3 D003704 ClinicalTrials
Depressive Disorder 3 D003866 ClinicalTrials

Related Entries

Scaffolds

Salt
Salt

Cross References

Resources Reference
CAS NUMBER 514-65-8
ChEBI 3112
ChEMBL CHEMBL1101
DrugBank DB00810
DrugCentral 374
EPA CompTox DTXSID6022680
FDA SRS 0FRP6G56LD
Human Metabolome Database HMDB0014948
Guide to Pharmacology 7128
KEGG C07941
PharmGKB PA448626
PubChem 2381
SureChEMBL SCHEMBL20229360