General Information of the Compound
| Compound ID |
CP0379856
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| Compound Name |
(S)-1-(4-fluorophenyl)-3-(3-(4-fluorophenyl)-[1,2,4]oxadiazol-5-yl)piperidine
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| Synonyms |
ADX-4
ADX-4 program, Addex
ADX-47273
ADX-50938
ADX-63365
MGluR5 PAM
MGluR5 positive modulators, Addex
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| Structure |
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| Formula |
C20H17F2N3O2
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| Molecular Weight |
369.371
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)N1CCC[C@@H](C1)c1nc(no1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C20H17F2N3O2/c21-16-7-3-13(4-8-16)18-23-19(27-24-18)15-2-1-11-25(12-15)20(26)14-5-9-17(22)10-6-14/h3-10,15H,1-2,11-12H2/t15-/m0/s1
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| InChIKey |
VXQCCZHCFBHTTD-HNNXBMFYSA-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
Clinical Information about the Compound