Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 7Q35V52Q2Z

Structure

InChI Key DOIAVGICIXNFIH-UHFFFAOYSA-N
Smile CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)CCCN
InChI
InChI=1S/C23H28N2O/c1-25(23(26)13-6-16-24)17-7-12-22-20-10-4-2-8-18(20)14-15-19-9-3-5-11-21(19)22/h2-5,8-12H,6-7,13-17,24H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H28N2O
Molecular Weight 348.49
AlogP 3.8
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 46.33
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 26.0

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL490932
FDA SRS 7Q35V52Q2Z
PubChem 24898306
ChEMBL CHEMBL1187120
EPA CompTox DTXSID60647859
FDA SRS 16226S07N3
PubChem 24898306
SureChEMBL SCHEMBL12074796
ZINC ZINC000040423537