General Information of the Compound
| Compound ID |
CP0449608
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| Compound Name |
3-[(2,5-dimethyl-4-thiazolyl)ethynyl]pyridine
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| Synonyms |
3-[(2,5-dimethyl-4-thiazolyl)ethynyl]pyridine
CHEMBL201857
SCHEMBL4149620
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| Structure |
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| Formula |
C12H10N2S
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| Molecular Weight |
214.293
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| Canonical SMILES |
Cc1nc(C#Cc2cccnc2)c(C)s1
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| InChI |
InChI=1S/C12H10N2S/c1-9-12(14-10(2)15-9)6-5-11-4-3-7-13-8-11/h3-4,7-8H,1-2H3
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| InChIKey |
JDFSJBMBMZRXML-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