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Drug Details

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Name:EM-1745
PubChem ID:446201
Pathway:-
InChI:InChI=1/C37H51N5O7/c1-37-15-14-25-24-13-11-23(43)16-21(24)10-12-26(25)27(37)17-22(33(37)47)8-6-4-2-3-5-7-9-29(44)48-18-28-31(45)32(46)36(49-28)42-20-41-30-34(38)39-19-40-35(30)42/h11,13,16,19-20,22,25-28,31-33,36,43,45-47H,2-10,12,14-15,17-18H2,1H3,(H2,38,39,40)/t22-,25+,26+,27-,28+,31+,32+,33-,36+,37-/m0/s1/f/h38H2
SMILES:C[C@]12CC[C@@H]3(c4ccc(cc4CC[C@@H]3[C@H]1(C[C@H](CCCCCCCCC(=O)OC[C@H]1[C@H]([C@H]([C@@H](n3cnc4c(N)ncnc34)O1)O)O)[C@@H]2O))O)

Properties:
Formula:C37H51N5O7Atoms:58
Molecular Weight:677.83Rotatable Bonds:13
H-bond Acceptors:11H-bond Donors:0
logP:5.1218
Targets:
NameUniprot IDSourceReferencesInteraction
Estradiol 17-beta-dehydrogenase 1DHB1_HUMANBindingDB-shows
Synonyms:
1i5r
AC1L9JAC
CHEBI:431846
CHEMBL371948
CID446201
EM-1745
HYC
O5'-[9-(3,17B-DIHYDROXY-1,3,5(10)-ESTRATRIEN-16B-YL)-NONANOYL]ADENOSINE
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl