General Information of the Compound
| Compound ID |
CP0060273
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| Compound Name |
4-[3-[4-[(E)-2-(6-fluoropyridin-3-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.Fc1ccc(\C=C\S(=O)(=O)c2ccc(OCCCN3CCOCC3)cc2)cn1
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| InChI |
InChI=1S/C20H23FN2O4S.ClH/c21-20-7-2-17(16-22-20)8-15-28(24,25)19-5-3-18(4-6-19)27-12-1-9-23-10-13-26-14-11-23;/h2-8,15-16H,1,9-14H2;1H/b15-8+;
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| InChIKey |
JJZSNUCSODFFNT-TWNLEINFSA-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