General Information of the Compound
| Compound ID |
CP0449606
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| Compound Name |
3-(4-methoxyphenyl)-5-[(2-methyl-4-thiazolyl)ethynyl]pyridine
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| Structure |
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| Formula |
C18H14N2OS
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| Molecular Weight |
306.39
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| Canonical SMILES |
COc1ccc(cc1)-c1cncc(c1)C#Cc1csc(C)n1
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| InChI |
InChI=1S/C18H14N2OS/c1-13-20-17(12-22-13)6-3-14-9-16(11-19-10-14)15-4-7-18(21-2)8-5-15/h4-5,7-12H,1-2H3
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| InChIKey |
HRXXCCBTQISFLQ-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