General Information of the Compound
| Compound ID |
CP0379953
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| Compound Name |
4-[4-[2-(3-fluorophenyl)ethynyl]phenyl]sulfonylmorpholine
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| Structure |
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| Formula |
C18H16FNO3S
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| Molecular Weight |
345.395
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| Canonical SMILES |
Fc1cccc(c1)C#Cc1ccc(cc1)S(=O)(=O)N1CCOCC1
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| InChI |
InChI=1S/C18H16FNO3S/c19-17-3-1-2-16(14-17)5-4-15-6-8-18(9-7-15)24(21,22)20-10-12-23-13-11-20/h1-3,6-9,14H,10-13H2
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| InChIKey |
DIYDPHCIBOZKIZ-UHFFFAOYSA-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