General Information of the Compound
| Compound ID |
CP0503156
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| Compound Name |
3-(3-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-5,5-dimethyl-5H-furan-2-one
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| Synonyms |
(2S,3R,4S,5R)-2-methylpiperidine-3,4,5-triol
1,2,6-Trideoxy-2,6-imino-D-galactitol
1,5-Dideoxy-1,5-imino-L-fucitol
1,5-Dideoxy-1,5-iminofucitol
1-Deoxyfuconojirimycin HCl
1-Deoxyfuconojirimycin hydrochloride
3,4,5-Piperidinetriol, 2-methyl-, (2S,3R,4S,5R)-
99212-30-3
AC1L3UXS
AC1Q59GC
AKOS006283710
BDBM50065258
CHEBI:132866
CHEMBL314772
D-Galactitol, 1,2,6-trideoxy-2,6-imino-
DFU
Deoxyfuconojirimycin
FT-0624513
Fucosidase Inhibitor, 3
L-fuco-Deoxynojirimycin
SCHEMBL4378188
ZINC2585424
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| Structure |
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| Formula |
C19H17FO4S
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| Molecular Weight |
360.406
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| Canonical SMILES |
CC1(C)OC(=O)C(=C1c1ccc(cc1)S(C)(=O)=O)c1cccc(F)c1
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| InChI |
InChI=1S/C19H17FO4S/c1-19(2)17(12-7-9-15(10-8-12)25(3,22)23)16(18(21)24-19)13-5-4-6-14(20)11-13/h4-11H,1-3H3
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| InChIKey |
NXERGIJHYVUXHM-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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound