General Information of the Compound
| Compound ID |
CP0449611
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| Compound Name |
4-(3-methoxyphenylethynyl)-2-methylthiazole
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| Synonyms |
4-(3-methoxyphenylethynyl)-2-methylthiazole
BDBM50181739
CHEMBL440220
SCHEMBL4150915
Thiazole, 4-[2-(3-methoxyphenyl)ethynyl]-2-methyl-
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| Structure |
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| Formula |
C13H11NOS
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| Molecular Weight |
229.304
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| Canonical SMILES |
COc1cccc(c1)C#Cc1csc(C)n1
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| InChI |
InChI=1S/C13H11NOS/c1-10-14-12(9-16-10)7-6-11-4-3-5-13(8-11)15-2/h3-5,8-9H,1-2H3
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| InChIKey |
OFMNNPTVFPHRMM-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