General Information of the Compound
| Compound ID |
CP0438288
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| Compound Name |
3-[4-[2-(1,3-thiazol-5-yl)ethynyl]phenyl]propanoic acid
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| Structure |
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| Formula |
C14H11NO2S
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| Molecular Weight |
257.314
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| Canonical SMILES |
OC(=O)CCc1ccc(cc1)C#Cc1cncs1
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| InChI |
InChI=1S/C14H11NO2S/c16-14(17)8-6-12-3-1-11(2-4-12)5-7-13-9-15-10-18-13/h1-4,9-10H,6,8H2,(H,16,17)
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| InChIKey |
RYDNXMOELJRUBG-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