Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: R02AA21
UNII: OZE0372S5A

Structure

InChI Key ZVXNYZWXUADSRV-UHFFFAOYSA-N
Smile CCCCCCCCN=c1ccn(CCCCCCCCCCn2ccc(=NCCCCCCCC)cc2)cc1
InChI
InChI=1S/C36H62N4/c1-3-5-7-9-15-19-27-37-35-23-31-39(32-24-35)29-21-17-13-11-12-14-18-22-30-40-33-25-36(26-34-40)38-28-20-16-10-8-6-4-2/h23-26,31-34H,3-22,27-30H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C36H62N4
Molecular Weight 550.92
AlogP 9.63
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 25.0
Polar Surface Area 34.58
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 40.0

Pharmacology

Action Mechanism of Action Reference
None Antiseptic Other PubMed PubMed

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135826
ChEMBL CHEMBL1199480
DrugBank DB12624
DrugCentral 3394
EPA CompTox DTXSID70221427
FDA SRS OZE0372S5A
PubChem 51167
SureChEMBL SCHEMBL124821
ZINC ZINC000008214632