General Information of the Compound
| Compound ID |
CP0509549
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| Compound Name |
3-[(5-ethyl-2-methyl-4-thiazolyl)ethynyl]pyridine
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| Synonyms |
3-[(5-ethyl-2-methyl-4-thiazolyl)ethynyl]pyridine
CHEMBL202277
SCHEMBL4151649
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| Structure |
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| Formula |
C13H12N2S
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| Molecular Weight |
228.32
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| Canonical SMILES |
CCc1sc(C)nc1C#Cc1cccnc1
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| InChI |
InChI=1S/C13H12N2S/c1-3-13-12(15-10(2)16-13)7-6-11-5-4-8-14-9-11/h4-5,8-9H,3H2,1-2H3
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| InChIKey |
SJJSHLRFCBWELS-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