General Information of the Compound
| Compound ID |
CP0499640
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| Compound Name |
(E)-3-[4-(1-adamantyl)phenoxy]-N-(3-sulfamoylphenyl)prop-2-enamide
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| Structure |
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| Formula |
C25H28N2O4S
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| Molecular Weight |
452.576
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| Canonical SMILES |
NS(=O)(=O)c1cccc(NC(=O)\C=C\Oc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1
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| InChI |
InChI=1S/C25H28N2O4S/c26-32(29,30)23-3-1-2-21(13-23)27-24(28)8-9-31-22-6-4-20(5-7-22)25-14-17-10-18(15-25)12-19(11-17)16-25/h1-9,13,17-19H,10-12,14-16H2,(H,27,28)(H2,26,29,30)/b9-8+
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| InChIKey |
LGWBYXAURIEOOG-CMDGGOBGSA-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