General Information of the Compound
| Compound ID |
CP0488309
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| Compound Name |
3-[4-(2-thiophen-2-ylethynyl)phenyl]propanoic acid
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| Structure |
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| Formula |
C15H12O2S
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| Molecular Weight |
256.326
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| Canonical SMILES |
OC(=O)CCc1ccc(cc1)C#Cc1cccs1
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| InChI |
InChI=1S/C15H12O2S/c16-15(17)10-8-13-5-3-12(4-6-13)7-9-14-2-1-11-18-14/h1-6,11H,8,10H2,(H,16,17)
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| InChIKey |
CMDDCWRAYXGZLH-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