General Information of the Compound
| Compound ID |
CP0096457
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| Compound Name |
4-[3-[4-[(E)-2-(3-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.Clc1cccc(\C=C\S(=O)(=O)c2ccc(OCCCN3CCOCC3)cc2)c1
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| InChI |
InChI=1S/C21H24ClNO4S.ClH/c22-19-4-1-3-18(17-19)9-16-28(24,25)21-7-5-20(6-8-21)27-13-2-10-23-11-14-26-15-12-23;/h1,3-9,16-17H,2,10-15H2;1H/b16-9+;
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| InChIKey |
WCWWHNILXZPRGA-QOVZSLTQSA-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