General Information of the Compound
| Compound ID |
CP0400207
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| Compound Name |
3-Phenyl-1-(2-methylthiazol-4-ylethynyl)benzene
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| Synonyms |
3-Phenyl-1-(2-methylthiazol-4-ylethynyl)benzene
BDBM50149798
CHEMBL365403
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| Structure |
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| Formula |
C18H13NS
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| Molecular Weight |
275.376
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| Canonical SMILES |
Cc1nc(cs1)C#Cc1cccc(c1)-c1ccccc1
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| InChI |
InChI=1S/C18H13NS/c1-14-19-18(13-20-14)11-10-15-6-5-9-17(12-15)16-7-3-2-4-8-16/h2-9,12-13H,1H3
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| InChIKey |
JWWDWRFQBGXCEK-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: PT01247, Metabotropic glutamate receptor 5
Protein ID: PT00854, Metabotropic glutamate receptor 5
Clinical Information about the Compound