General Information of the Compound
| Compound ID |
CP0509550
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| Compound Name |
2-methyl-4-[[3-(trifluoromethyl)phenyl]ethynyl]thiazole
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| Structure |
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| Formula |
C13H8F3NS
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| Molecular Weight |
267.275
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| Canonical SMILES |
Cc1nc(cs1)C#Cc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C13H8F3NS/c1-9-17-12(8-18-9)6-5-10-3-2-4-11(7-10)13(14,15)16/h2-4,7-8H,1H3
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| InChIKey |
FFBFCGDHUGTWJZ-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