General Information of the Compound
| Compound ID |
CP0500672
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| Compound Name |
3-[(2-methyl-4-thiazolyl)ethynyl]-5-vinylpyridine
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| Synonyms |
3-[(2-methyl-4-thiazolyl)ethynyl]-5-vinylpyridine
BDBM50181753
CHEMBL202307
SCHEMBL4160862
US8609852, 78
ZINC13680962
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| Structure |
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| Formula |
C13H10N2S
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| Molecular Weight |
226.304
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| Canonical SMILES |
Cc1nc(cs1)C#Cc1cncc(C=C)c1
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| InChI |
InChI=1S/C13H10N2S/c1-3-11-6-12(8-14-7-11)4-5-13-9-16-10(2)15-13/h3,6-9H,1H2,2H3
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| InChIKey |
BZJCMXLEGBDDGI-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