General Information of the Compound
| Compound ID |
CP0860269
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| Compound Name |
(4-((4-methoxyphenyl)ethynyl)phenyl)(3-methoxypiperidin-1-yl)methanone
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| Structure |
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| Formula |
C22H23NO3
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| Molecular Weight |
349.43
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| Canonical SMILES |
COc1ccc(C#Cc2ccc(C(=O)N3CCCC(OC)C3)cc2)cc1
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| InChI |
InChI=1S/C22H23NO3/c1-25-20-13-9-18(10-14-20)6-5-17-7-11-19(12-8-17)22(24)23-15-3-4-21(16-23)26-2/h7-14,21H,3-4,15-16H2,1-2H3
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| InChIKey |
QAVVOFASNQWWDE-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: PT01491, Metabotropic glutamate receptor 2
Protein ID: PT03263, Metabotropic glutamate receptor 3