Structure

InChI Key AXKPFOAXAHJUAG-UHFFFAOYSA-N
Smile NC(=O)C1(N2CCCCC2)CCN(CCCC(=O)c2ccc(F)cc2)CC1
InChI
InChI=1S/C21H30FN3O2/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25/h6-9H,1-5,10-16H2,(H2,23,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H30FN3O2
Molecular Weight 375.49
AlogP 2.59
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 66.64
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 27.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Schizophrenia 3 D012559 ClinicalTrials
Anxiety 3 D001007 ClinicalTrials
Psychotic Disorders 3 D011618 ClinicalTrials
Dementia 3 D003704 ClinicalTrials
Depressive Disorder, Major 3 D003865 ClinicalTrials
Depressive Disorder 3 D003866 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1893-33-0
ChEBI 78549
ChEMBL CHEMBL440294
DrugBank DB09286
DrugCentral 2181
EPA CompTox DTXSID8048369
FDA SRS 5402501F0W
Guide to Pharmacology 92
PubChem 4830
SureChEMBL SCHEMBL2412
ZINC ZINC000021297287