General Information of the Compound
| Compound ID |
CP0503880
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| Compound Name |
6-(isobutylamino)nicotinic acid
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| Structure |
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| Formula |
C10H14N2O2
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| Molecular Weight |
194.234
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| Canonical SMILES |
CC(C)CNc1ccc(cn1)C(O)=O
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| InChI |
InChI=1S/C10H14N2O2/c1-7(2)5-11-9-4-3-8(6-12-9)10(13)14/h3-4,6-7H,5H2,1-2H3,(H,11,12)(H,13,14)
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| InChIKey |
YNUSAOSZLXIIHK-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: PT01282, Hydroxycarboxylic acid receptor 2
Protein ID: PT02010, Hydroxycarboxylic acid receptor 3