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Name:E2-adenosine hybrid compound, 9
PubChem ID:23647686
Pathway:Show KEGG pathways
InChI:InChI=1S/C38H53N5O7/c1-38-16-15-26-25-14-12-24(44)17-22(25)11-13-27(26)28(38)18-23(34(38)48)9-7-5-3-2-4-6-8-10-30(45)49-19-29-32(46)33(47)37(50-29)43-21-42-31-35(39)40-20-41-36(31)43/h12,14,17,20-21,23,26-29,32-34,37,44,46-48H,2-11,13,15-16,18-19H2,1H3,(H2,39,40,41)/t23?,26?,27?,28?,29?,32?,33?,34-,37?,38-/m0/s1
SMILES:O=C(OCC1OC(C(C1O)O)n1cnc2c1ncnc2N)CCCCCCCCCC1C[C@@H]2[C@]([C@H]1O)(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O

Properties:
Formula:C38H53N5O7Atoms:50
Molecular Weight:691.857Rotatable Bonds:14
H-bond Acceptors:12H-bond Donors:5
logP:5.5119
Targets:
NameUniprot IDSourceReferencesInteraction
Estradiol 17-beta-dehydrogenase 1DHB1_HUMANBindingDB-shows
Synonyms:
()-oxazepam hemisuccinate sodium salt
E2-adenosine hybrid compound, 9