General Information of the Compound
| Compound ID |
CP0460208
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| Compound Name |
2-Methyl-4-m-tolylethynyl-thiazole
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| Synonyms |
2-Methyl-4-m-tolylethynyl-thiazole
2-methyl-4-(m-tolylethynyl)thiazole
CHEMBL182950
SCHEMBL4150883
ZINC13680880
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| Structure |
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| Formula |
C13H11NS
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| Molecular Weight |
213.305
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| Canonical SMILES |
Cc1nc(cs1)C#Cc1cccc(C)c1
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| InChI |
InChI=1S/C13H11NS/c1-10-4-3-5-12(8-10)6-7-13-9-15-11(2)14-13/h3-5,8-9H,1-2H3
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| InChIKey |
LYHRSGPNRBPYDG-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