Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A03AC05
UNII: R7S0904CN2

Structure

InChI Key FDBWMYOFXWMGEY-UHFFFAOYSA-N
Smile CCCN(CCC)C(=O)C(Cc1ccc(OCCN(CC)CC)cc1)NC(=O)c1ccccc1
InChI
InChI=1S/C28H41N3O3/c1-5-18-31(19-6-2)28(33)26(29-27(32)24-12-10-9-11-13-24)22-23-14-16-25(17-15-23)34-21-20-30(7-3)8-4/h9-17,26H,5-8,18-22H2,1-4H3,(H,29,32)

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H41N3O3
Molecular Weight 467.65
AlogP 4.4
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 15.0
Polar Surface Area 61.88
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 34.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135758
ChEMBL CHEMBL2104688
DrugBank DB13091
DrugCentral 2681
FDA SRS R7S0904CN2
Human Metabolome Database HMDB0042042
PubChem 42262
SureChEMBL SCHEMBL25693