Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 933PJL964R

Structure

InChI Key LHYMPSWMHXUWSK-KGENOOAVSA-N
Smile CN1CCN(c2ccccc2/C=C2/SCCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1
InChI
InChI=1S/C22H23Cl2N3OS/c1-25-8-10-26(11-9-25)20-5-3-2-4-16(20)14-21-22(28)27(12-13-29-21)17-6-7-18(23)19(24)15-17/h2-7,14-15H,8-13H2,1H3/b21-14+

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H23Cl2N3OS
Molecular Weight 448.42
AlogP 4.87
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 26.79
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 29.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Depressive Disorder, Major 2 D003865 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3185463
EPA CompTox DTXSID7047277
FDA SRS 933PJL964R
PubChem 6914152
SureChEMBL SCHEMBL5159632