Structure

InChI Key QKYBZJLEMOZFFU-UHFFFAOYSA-N
Smile Cc1ccc(C(=O)Oc2ccc(C(CN(C)C)C3(O)CCCCC3)cc2)cc1
InChI
InChI=1S/C24H31NO3/c1-18-7-9-20(10-8-18)23(26)28-21-13-11-19(12-14-21)22(17-25(2)3)24(27)15-5-4-6-16-24/h7-14,22,27H,4-6,15-17H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H31NO3
Molecular Weight 381.52
AlogP 4.55
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 49.77
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Depressive Disorder, Major 3 D003865 ClinicalTrials
Depressive Disorder 1 D003866 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4227736
DrugBank DB15052
FDA SRS A7CGH459FN
SureChEMBL SCHEMBL902362