General Information of the Compound
| Compound ID |
CP0464425
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| Compound Name |
[4-[(E)-4-(4-sulfamoyloxyphenyl)hex-3-en-3-yl]phenyl] sulfamate
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| Structure |
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| Formula |
C18H22N2O6S2
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| Molecular Weight |
426.516
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| Canonical SMILES |
CC\C(=C(\CC)c1ccc(OS(N)(=O)=O)cc1)c1ccc(OS(N)(=O)=O)cc1
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| InChI |
InChI=1S/C18H22N2O6S2/c1-3-17(13-5-9-15(10-6-13)25-27(19,21)22)18(4-2)14-7-11-16(12-8-14)26-28(20,23)24/h5-12H,3-4H2,1-2H3,(H2,19,21,22)(H2,20,23,24)/b18-17+
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| InChIKey |
AAUJFIUVFUZQHG-ISLYRVAYSA-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