Structure

InChI Key VYFLPFGUVGMBEP-UHFFFAOYSA-N
Smile COc1ccc(CN2CCNCC2)c(OC)c1OC.Cl.Cl
InChI
InChI=1S/C14H22N2O3.2ClH/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16;;/h4-5,15H,6-10H2,1-3H3;2*1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H24Cl2N2O3
Molecular Weight 339.26
AlogP 1.12
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 42.96
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 19.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Hepatocellular 3 D006528 ClinicalTrials
Amyotrophic Lateral Sclerosis 2 D000690 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 32262
ChEMBL CHEMBL3561076
EPA CompTox DTXSID1045407
FDA SRS 48V6723Z1P
SureChEMBL SCHEMBL580378