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ID14326

PropertiesImageOccurences in reactions
MNX_IDMNXM156726Image of MNXM156726
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC28H36N4O3S
charge0
mass508.25081
referencechebi:169662
InChIKeyVKVBDORNIIAKBR-UJKUZCFGSA-N
InChIInChI=1S/C28H36N4O3S/c33-25-20-9-10-21(25)24-23(20)27(34)32(28(24)35)16-18-6-2-1-5-17(18)15-30-11-13-31(14-12-30)26-19-7-3-4-8-22(19)36-29-26/h3-4,7-8,17-18,20-21,23-25,33H,1-2,5-6,9-16H2/t17-,18-,20?,21?,23?,24?,25?/m0/s1
SMILESO=C1C2C3CCC(C3O)C2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(c2nsc3ccccc23)CC1
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:169662
chebi:169662 		ID14326
4-[[(1R,2R)-2-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]-10-hydroxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
hmdb:HMDB0060828 ID14326
4-{[(1R,2R)-2-{[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl}cyclohexyl]methyl}-10-hydroxy-4-azatricyclo[5.2.1.0²,⁶]decane-3,5-dione
hmdb:HMDB60828 secondary/obsolete/fantasy identifier