General Information of the Compound
| Compound ID |
CP0512038
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| Compound Name |
2-(1-phenyl-1H-pyrazole-4-carbonyl)phenoxyacetic acid
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| Structure |
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| Formula |
C18H14N2O4
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| Molecular Weight |
322.32
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| Canonical SMILES |
OC(=O)COc1ccccc1C(=O)c1cnn(c1)-c1ccccc1
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| InChI |
InChI=1S/C18H14N2O4/c21-17(22)12-24-16-9-5-4-8-15(16)18(23)13-10-19-20(11-13)14-6-2-1-3-7-14/h1-11H,12H2,(H,21,22)
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| InChIKey |
DAWHTPGTQWULEI-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