General Information of the Compound
| Compound ID |
CP0453605
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| Compound Name |
ethyl 2-[4-bromo-2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetate
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| Structure |
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| Formula |
C20H17BrN2O4
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| Molecular Weight |
429.27
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| Canonical SMILES |
CCOC(=O)COc1ccc(Br)cc1C(=O)c1cnn(c1)-c1ccccc1
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| InChI |
InChI=1S/C20H17BrN2O4/c1-2-26-19(24)13-27-18-9-8-15(21)10-17(18)20(25)14-11-22-23(12-14)16-6-4-3-5-7-16/h3-12H,2,13H2,1H3
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| InChIKey |
KBXJQIDNYQTMNP-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