General Information of the Compound
| Compound ID |
CP0515841
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| Compound Name |
2-ethynyl-4-(3-fluorophenylethynyl)thiazole
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| Synonyms |
2-ethynyl-4-(3-fluorophenylethynyl)thiazole
BDBM50181773
CHEMBL201939
SCHEMBL4138461
Thiazole, 2-ethynyl-4-[2-(3-fluorophenyl)ethynyl]-
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| Structure |
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| Formula |
C13H6FNS
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| Molecular Weight |
227.263
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| Canonical SMILES |
Fc1cccc(c1)C#Cc1csc(n1)C#C
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| InChI |
InChI=1S/C13H6FNS/c1-2-13-15-12(9-16-13)7-6-10-4-3-5-11(14)8-10/h1,3-5,8-9H
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| InChIKey |
SECGPKGEFXVRQQ-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
Clinical Information about the Compound