General Information of the Compound
| Compound ID |
CP0432623
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| Compound Name |
3-[(2-methyl-4-thiazolyl)ethynyl]benzonitrile
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| Synonyms |
3-[(2-Methyl-4-thiazolyl)ethynyl]benzonitrile
3-[(2-methyl-4-thiazolyl)ethynyl]benzonitrile
3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]benzonitrile
BDBM50181745
Benzonitrile, 3-[2-(2-methyl-4-thiazolyl)ethynyl]-
CHEMBL201943
GTPL1428
MTEB
SCHEMBL4153877
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| Structure |
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| Formula |
C13H8N2S
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| Molecular Weight |
224.288
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| Canonical SMILES |
Cc1nc(cs1)C#Cc1cccc(c1)C#N
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| InChI |
InChI=1S/C13H8N2S/c1-10-15-13(9-16-10)6-5-11-3-2-4-12(7-11)8-14/h2-4,7,9H,1H3
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| InChIKey |
GRUPMMBRLDBTDD-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
Clinical Information about the Compound
Drug 1 ( 3-[(2-methyl-4-thiazolyl)ethynyl]benzonitrile )
| Drug Name | 3-[(2-methyl-4-thiazolyl)ethynyl]benzonitrile | ||
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| Target(s) |
Metabotropic glutamate receptor 5 (mGluR5)
Inhibitor
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