General Information of the Compound
| Compound ID |
CP0509548
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| Compound Name |
3-[(2-methyl-5-phenyl-4-thiazolyl)ethynyl]pyridine
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| Structure |
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| Formula |
C17H12N2S
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| Molecular Weight |
276.364
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| Canonical SMILES |
Cc1nc(C#Cc2cccnc2)c(s1)-c1ccccc1
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| InChI |
InChI=1S/C17H12N2S/c1-13-19-16(10-9-14-6-5-11-18-12-14)17(20-13)15-7-3-2-4-8-15/h2-8,11-12H,1H3
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| InChIKey |
WPXSUSHLOJMPKL-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