General Information of the Compound
| Compound ID |
CP0484619
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| Compound Name |
3-[4-(2-pyridin-3-ylethynyl)phenyl]propanoic acid
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| Structure |
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| Formula |
C16H13NO2
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| Molecular Weight |
251.285
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| Canonical SMILES |
OC(=O)CCc1ccc(cc1)C#Cc1cccnc1
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| InChI |
InChI=1S/C16H13NO2/c18-16(19)10-9-14-5-3-13(4-6-14)7-8-15-2-1-11-17-12-15/h1-6,11-12H,9-10H2,(H,18,19)
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| InChIKey |
WIYWESAZRVBUAW-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