General Information of the Compound
| Compound ID |
CP0392496
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| Compound Name |
3-(4-fluorophenyl)-5-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
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| Structure |
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| Formula |
C19H17F2N3O3S
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| Molecular Weight |
405.426
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| Canonical SMILES |
Fc1ccc(cc1)-c1noc(n1)[C@H]1CCCN(C1)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C19H17F2N3O3S/c20-15-5-3-13(4-6-15)18-22-19(27-23-18)14-2-1-11-24(12-14)28(25,26)17-9-7-16(21)8-10-17/h3-10,14H,1-2,11-12H2/t14-/m0/s1
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| InChIKey |
LTXVFBURTKNLCW-AWEZNQCLSA-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: PT01247, Metabotropic glutamate receptor 5
Protein ID: PT00854, Metabotropic glutamate receptor 5