General Information of the Compound
| Compound ID |
CP0180295
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| Compound Name |
4-[[1-(2,4-dichlorophenyl)sulfonyl-3-hydroxyazetidin-3-yl]methoxy]-2-fluorobenzonitrile
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| Structure |
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| Formula |
C17H13Cl2FN2O4S
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| Molecular Weight |
431.272
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| Canonical SMILES |
OC1(COc2ccc(C#N)c(F)c2)CN(C1)S(=O)(=O)c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C17H13Cl2FN2O4S/c18-12-2-4-16(14(19)5-12)27(24,25)22-8-17(23,9-22)10-26-13-3-1-11(7-21)15(20)6-13/h1-6,23H,8-10H2
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| InChIKey |
RZAIRBXIVAVGHE-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
Protein ID: PT04567, Transient receptor potential cation channel subfamily V member 4
Protein ID: PT03081, Transient receptor potential cation channel subfamily V member 4