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Name:Bis-huperzine B 5c
PubChem ID:23645104
Pathway:Show KEGG pathways
InChI:InChI=1S/C44H60N6O4/c1-29-21-31-23-37-35(13-15-39(51)45-37)43(25-29)33(31)11-9-19-49(43)41(53)27-47(3)17-7-5-6-8-18-48(4)28-42(54)50-20-10-12-34-32-22-30(2)26-44(34,50)36-14-16-40(52)46-38(36)24-32/h13-16,21-22,31-34H,5-12,17-20,23-28H2,1-4H3,(H,45,51)(H,46,52)/t31?,32?,33?,34?,43-,44-/m1/s1
SMILES:CN(CC(=O)N1CCC[C@H]2[C@]31CC(=CC2Cc1c3ccc(=O)[nH]1)C)CCCCCCN(CC(=O)N1CCC[C@H]2[C@]31CC(=CC2Cc1c3ccc(=O)[nH]1)C)C

Properties:
Formula:C44H60N6O4Atoms:54
Molecular Weight:736.985Rotatable Bonds:13
H-bond Acceptors:8H-bond Donors:2
logP:4.9756
Targets:
NameUniprot IDSourceReferencesInteraction
AcetylcholinesteraseACES_RATBindingDB-shows
Synonyms:
()-oxazepam hemisuccinate sodium salt
Bis(12)-Huperzine B
Bis-huperzine B 5c
CHEMBL175975