Structure

InChI Key VAYOSLLFUXYJDT-RDTXWAMCSA-N
Smile CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
InChI
InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H25N3O
Molecular Weight 323.44
AlogP 2.91
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 39.34
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Anxiety 2 D001007 ClinicalTrials
Pain 2 D010146 ClinicalTrials
Depressive Disorder, Major 2 D003865 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 6605
ChEMBL CHEMBL263881
DrugBank DB04829
DrugCentral 1621
EPA CompTox DTXSID1023231
FDA SRS 8NA5SWF92O
Guide to Pharmacology 17
KEGG C07542
PDB 7LD
PubChem 5761
SureChEMBL SCHEMBL113755
ZINC ZINC000096903803