General Information of the Compound
| Compound ID |
CP0096454
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| Compound Name |
4-[3-[2-[(E)-2-(3-fluoropyridin-2-yl)ethenyl]sulfonylphenoxy]propyl]morpholine;hydrochloride
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| Structure |
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| Formula |
C20H24ClFN2O4S
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| Molecular Weight |
442.94
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| Canonical SMILES |
Cl.Fc1cccnc1\C=C\S(=O)(=O)c1ccccc1OCCCN1CCOCC1
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| InChI |
InChI=1S/C20H23FN2O4S.ClH/c21-17-5-3-9-22-18(17)8-16-28(24,25)20-7-2-1-6-19(20)27-13-4-10-23-11-14-26-15-12-23;/h1-3,5-9,16H,4,10-15H2;1H/b16-8+;
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| InChIKey |
AAEODNSQYWHSBD-OHGISNTKSA-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