General Information of the Compound
| Compound ID |
CP0441807
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| Compound Name |
2-(4-bromo-2-(isoxazole-5-carbonyl)phenoxy)acetic acid
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| Structure |
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| Formula |
C12H8BrNO5
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| Molecular Weight |
326.102
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| Canonical SMILES |
OC(=O)COc1ccc(Br)cc1C(=O)c1ccno1
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| InChI |
InChI=1S/C12H8BrNO5/c13-7-1-2-9(18-6-11(15)16)8(5-7)12(17)10-3-4-14-19-10/h1-5H,6H2,(H,15,16)
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| InChIKey |
ITWPZOSVLCTNIX-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