Structure

InChI Key BFCDFTHTSVTWOG-UHFFFAOYSA-N
Smile CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1
InChI
InChI=1S/C20H35NOS/c1-5-6-7-8-9-10-15-21-17(4)20(22)18-11-13-19(14-12-18)23-16(2)3/h11-14,16-17,20-22H,5-10,15H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H35NOS
Molecular Weight 337.57
AlogP 5.56
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 12.0
Polar Surface Area 32.26
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 23.0

Pharmacology

Action Mechanism of Action Reference
BLOCKER Voltage-gated calcium channel blocker PubMed PubMed PubMed PubMed PubMed PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 91639
ChEMBL CHEMBL404849
DrugCentral 2536
EPA CompTox DTXSID4045638
FDA SRS XV1N1XY17K
PubChem 6604413
SureChEMBL SCHEMBL23974