General Information of the Compound
| Compound ID |
CP0409146
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| Compound Name |
4-methyl-2-(1-phenyl-1H-pyrazole-4-carbonyl)phenoxyacetic acid
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| Structure |
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| Formula |
C19H16N2O4
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| Molecular Weight |
336.347
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| Canonical SMILES |
Cc1ccc(OCC(O)=O)c(c1)C(=O)c1cnn(c1)-c1ccccc1
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| InChI |
InChI=1S/C19H16N2O4/c1-13-7-8-17(25-12-18(22)23)16(9-13)19(24)14-10-20-21(11-14)15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,22,23)
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| InChIKey |
HODPNPWIMWTWCD-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