Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 51JV4753AD

Structure

InChI Key PYZFRRVBPNGCBX-SECBINFHSA-N
Smile CCC(CC)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1
InChI
InChI=1S/C11H18ClNO3S2/c1-3-8(4-2)9(7-14)13-18(15,16)11-6-5-10(12)17-11/h5-6,8-9,13-14H,3-4,7H2,1-2H3/t9-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H18ClNO3S2
Molecular Weight 311.86
AlogP 2.48
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 66.4
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 18.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Alzheimer Disease 1 D000544 ClinicalTrials

Related Entries

MCS

Cross References

Resources Reference
CAS NUMBER 443989-01-3
ChEMBL CHEMBL480558
DrugBank DB12819
EPA CompTox DTXSID80196152
FDA SRS 51JV4753AD
PubChem 11358855
SureChEMBL SCHEMBL1168789