General Information of the Compound
| Compound ID |
CP0453604
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| Compound Name |
4-bromo-2-[1-(2-bromophenyl)-1H-pyrazole-4-carbonyl]phenoxyacetic acid
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| Structure |
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| Formula |
C18H12Br2N2O4
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| Molecular Weight |
480.112
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| Canonical SMILES |
OC(=O)COc1ccc(Br)cc1C(=O)c1cnn(c1)-c1ccccc1Br
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| InChI |
InChI=1S/C18H12Br2N2O4/c19-12-5-6-16(26-10-17(23)24)13(7-12)18(25)11-8-21-22(9-11)15-4-2-1-3-14(15)20/h1-9H,10H2,(H,23,24)
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| InChIKey |
ABJDYWHACJDHLM-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