Structure

InChI Key LJOQGZACKSYWCH-NBGVHYBESA-N
Smile CC[C@H]1CN2CCC1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12
InChI
InChI=1S/C20H26N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3/t13-,14?,19+,20-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H26N2O2
Molecular Weight 326.44
AlogP 3.4
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 45.59
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Brugada Syndrome 3 D053840 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1435-55-8
ChEBI 5792
ChEMBL CHEMBL1906890
FDA SRS 8P68XPY4HG
KEGG C10696
PubChem 91503
SureChEMBL SCHEMBL13587300