General Information of the Compound
Compound ID |
CP0562436
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Compound Name |
5-[(2-methyl-4-thiazolyl)ethynyl]-2-vinylpyridine
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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#Cc1ccc(C=C)nc1
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InChI |
InChI=1S/C13H10N2S/c1-3-12-6-4-11(8-14-12)5-7-13-9-16-10(2)15-13/h3-4,6,8-9H,1H2,2H3
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InChIKey |
FEWYFDSOTZFXLM-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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