General Information of the Compound
| Compound ID |
CP0497187
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| Compound Name |
2-methoxy-3-[(2-methyl-4-thiazolyl)ethynyl]pyridine
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| Structure |
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| Formula |
C12H10N2OS
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| Molecular Weight |
230.292
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| Canonical SMILES |
COc1ncccc1C#Cc1csc(C)n1
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| InChI |
InChI=1S/C12H10N2OS/c1-9-14-11(8-16-9)6-5-10-4-3-7-13-12(10)15-2/h3-4,7-8H,1-2H3
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| InChIKey |
RSYUKVLYKZHGIR-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