General Information of the Compound
| Compound ID |
CP0438001
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| Compound Name |
3-(4-isoquinolin-1-yloxyphenyl)hex-4-ynoic acid
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| Structure |
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| Formula |
C21H17NO3
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| Molecular Weight |
331.371
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| Canonical SMILES |
CC#CC(CC(O)=O)c1ccc(Oc2nccc3ccccc23)cc1
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| InChI |
InChI=1S/C21H17NO3/c1-2-5-17(14-20(23)24)15-8-10-18(11-9-15)25-21-19-7-4-3-6-16(19)12-13-22-21/h3-4,6-13,17H,14H2,1H3,(H,23,24)
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| InChIKey |
HKFFRSRBKJXQHI-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
Protein ID: PT04613, Free fatty acid receptor 1
Protein ID: PT02793, Free fatty acid receptor 1