General Information of the Compound
| Compound ID |
CP0396151
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| Compound Name |
2-[3-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-5-fluorophenoxy]benzonitrile
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| Structure |
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| Formula |
C20H13FN2O3S
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| Molecular Weight |
380.4
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| Canonical SMILES |
Fc1cc(Oc2ccccc2C#N)cc(c1)N1Cc2ccccc2S1(=O)=O
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| InChI |
InChI=1S/C20H13FN2O3S/c21-16-9-17(23-13-15-6-2-4-8-20(15)27(23,24)25)11-18(10-16)26-19-7-3-1-5-14(19)12-22/h1-11H,13H2
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| InChIKey |
VCHWKWOKAWKZRR-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: PT02793, Free fatty acid receptor 1
Protein ID: PT04427, Free fatty acid receptor 4