General Information of the Compound
| Compound ID |
CP0394688
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| Compound Name |
N-[3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]phenyl]acetamide
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| Structure |
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| Formula |
C14H12N2OS
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| Molecular Weight |
256.33
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| Canonical SMILES |
CC(=O)Nc1cccc(c1)C#Cc1csc(C)n1
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| InChI |
InChI=1S/C14H12N2OS/c1-10(17)15-13-5-3-4-12(8-13)6-7-14-9-18-11(2)16-14/h3-5,8-9H,1-2H3,(H,15,17)
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| InChIKey |
TUUJENJRJNDIPB-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