General Information of the Compound
| Compound ID |
CP0379852
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| Compound Name |
2-(2-phenylethynyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
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| Structure |
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| Formula |
C15H11NOS
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| Molecular Weight |
253.326
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| Canonical SMILES |
O=C1CCCc2nc(sc12)C#Cc1ccccc1
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| InChI |
InChI=1S/C15H11NOS/c17-13-8-4-7-12-15(13)18-14(16-12)10-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-8H2
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| InChIKey |
SZGKTGVROKLYCT-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: PT01994, Metabotropic glutamate receptor 1
Protein ID: PT01748, Metabotropic glutamate receptor 2
Protein ID: PT01312, Metabotropic glutamate receptor 3
Protein ID: PT02199, Metabotropic glutamate receptor 4
Protein ID: PT00854, Metabotropic glutamate receptor 5
Protein ID: PT02445, Metabotropic glutamate receptor 6
Protein ID: PT01311, Metabotropic glutamate receptor 7
Protein ID: PT02739, Metabotropic glutamate receptor 8