Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Parent
ATC: N06AA07
UNII: OCA4JT7PAW

Structure

InChI Key SAPNXPWPAUFAJU-UHFFFAOYSA-N
Smile CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1
InChI
InChI=1S/C26H27ClN2O/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H27ClN2O
Molecular Weight 418.97
AlogP 5.78
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 7.0
Polar Surface Area 23.55
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 30.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 47782
ChEMBL CHEMBL87708
DrugBank DB13411
DrugCentral 1592
EPA CompTox DTXSID2023220
FDA SRS OCA4JT7PAW
Guide to Pharmacology 7551
PubChem 3947
SureChEMBL SCHEMBL35028
ZINC ZINC000001542929