General Information of the Compound
| Compound ID |
CP0916837
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| Compound Name |
5-[2-(4-Hydroxy-3-methoxy-phenyl)-vinyl]-2H-pyrazole-3-carboxylic acid
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| Structure |
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| Formula |
C13H12N2O4
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| Molecular Weight |
260.249
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| Canonical SMILES |
COc1cc(/C=C/c2cc(C(=O)O)[nH]n2)ccc1O
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| InChI |
InChI=1S/C13H12N2O4/c1-19-12-6-8(3-5-11(12)16)2-4-9-7-10(13(17)18)15-14-9/h2-7,16H,1H3,(H,14,15)(H,17,18)/b4-2+
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| InChIKey |
DVYCTZNHNGHEII-DUXPYHPUSA-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