Structure

InChI Key XHHXGKRFUPEPFM-OAHLLOKOSA-N
Smile CCc1[nH]nc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)c1C
InChI
InChI=1S/C17H22N4O2/c1-3-14-11(2)16(21-20-14)17(22)19-13-6-4-12(5-7-13)15-10-18-8-9-23-15/h4-7,15,18H,3,8-10H2,1-2H3,(H,19,22)(H,20,21)/t15-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H22N4O2
Molecular Weight 314.39
AlogP 2.19
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 79.04
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 23.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Psychotic Disorders 2 D011618 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4594376
FDA SRS QA8MW1Q80P
SureChEMBL SCHEMBL19356836