General Information of the Compound
| Compound ID |
CP0396397
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| Compound Name |
6-[[4-(benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxy]-N-hydroxyhexanamide
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| Structure |
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| Formula |
C14H17N3O7S
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| Molecular Weight |
371.371
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| Canonical SMILES |
ONC(=O)CCCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C14H17N3O7S/c18-12(15-19)9-5-2-6-10-23-13-14(17(20)24-16-13)25(21,22)11-7-3-1-4-8-11/h1,3-4,7-8,19H,2,5-6,9-10H2,(H,15,18)
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| InChIKey |
AGDGTFUFKSHWRN-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Table of Molecular Bioactivities Related to the Compound