General Information of the Compound
| Compound ID |
CP0239543
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| Compound Name |
4-[3-[4-[(E)-2-(2-chlorophenyl)ethenyl]sulfonylphenoxy]propyl]morpholine;hydrochloride
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| Structure |
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| Formula |
C21H25Cl2NO4S
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| Molecular Weight |
458.407
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| Canonical SMILES |
Cl.Clc1ccccc1\C=C\S(=O)(=O)c1ccc(OCCCN2CCOCC2)cc1
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| InChI |
InChI=1S/C21H24ClNO4S.ClH/c22-21-5-2-1-4-18(21)10-17-28(24,25)20-8-6-19(7-9-20)27-14-3-11-23-12-15-26-16-13-23;/h1-2,4-10,17H,3,11-16H2;1H/b17-10+;
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| InChIKey |
REKHDBFDYHYMFB-LZMXEPDESA-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