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Name:Bis-huperzine B 5e
PubChem ID:23645106
Pathway:Show KEGG pathways
InChI:InChI=1S/C46H64N6O4/c1-31-25-33-27-39-37(13-15-41(53)47-39)45(29-31)35(33)11-9-21-51(45)43(55)17-23-49(3)19-7-5-6-8-20-50(4)24-18-44(56)52-22-10-12-36-34-26-32(2)30-46(36,52)38-14-16-42(54)48-40(38)28-34/h13-16,25-26,33-36H,5-12,17-24,27-30H2,1-4H3,(H,47,53)(H,48,54)/t33?,34?,35?,36?,45-,46-/m1/s1
SMILES:CN(CCC(=O)N1CCC[C@H]2[C@]31CC(=CC2Cc1c3ccc(=O)[nH]1)C)CCCCCCN(CCC(=O)N1CCC[C@H]2[C@]31CC(=CC2Cc1c3ccc(=O)[nH]1)C)C

Properties:
Formula:C46H64N6O4Atoms:56
Molecular Weight:765.038Rotatable Bonds:15
H-bond Acceptors:8H-bond Donors:2
logP:5.7558
Targets:
NameUniprot IDSourceReferencesInteraction
AcetylcholinesteraseACES_RATBindingDB-shows
Synonyms:
()-oxazepam hemisuccinate sodium salt
Bis-huperzine B 5e
CHEMBL368899