OXYPERTINE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: N05AE01
UNII: 5JGL4G25R7

Structure
InChI Key XCWPUUGSGHNIDZ-UHFFFAOYSA-N
Smile COc1cc2[nH]c(C)c(CCN3CCN(c4ccccc4)CC3)c2cc1OC
InChI
InChI=1S/C23H29N3O2/c1-17-19(20-15-22(27-2)23(28-3)16-21(20)24-17)9-10-25-11-13-26(14-12-25)18-7-5-4-6-8-18/h4-8,15-16,24H,9-14H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H29N3O2
Molecular Weight 379.5
AlogP 3.86
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 40.73
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 28.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 31952
ChEMBL CHEMBL2107011
DrugBank DB13403
DrugCentral 2035
EPA CompTox DTXSID20165185
FDA SRS 5JGL4G25R7
PubChem 4640
SureChEMBL SCHEMBL1515
ZINC ZINC000000538144
CONTENTS