ENCENICLINE HYDROCHLORIDE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: VYV1YE9W06

Structure
InChI Key OIJYTJGIDVTCFF-ZOWNYOTGSA-N
Smile Cl.O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(Cl)c2s1
InChI
InChI=1S/C16H17ClN2OS.ClH/c17-12-3-1-2-11-8-14(21-15(11)12)16(20)18-13-9-19-6-4-10(13)5-7-19;/h1-3,8,10,13H,4-7,9H2,(H,18,20);1H/t13-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H18Cl2N2OS
Molecular Weight 357.31
AlogP 3.38
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 32.34
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 21.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Schizophrenia 2 D012559 ClinicalTrials
Alzheimer Disease 2 D000544 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL3137323
EPA CompTox DTXSID40673090
FDA SRS VYV1YE9W06
PubChem 46208542
SureChEMBL SCHEMBL744202
CONTENTS